From 2aca93ee6484e91edce3ce8c83875f1273fb1cca Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 16:42:31 -0400 Subject: [PATCH 01/22] fix bugs --- README.md | 2 +- docs/_static/core_principles.png | Bin 0 -> 81514 bytes docs/index.rst | 4 + docs/user/introduction.rst | 2 + justfile | 2 +- scripts/ast_to_graph.py | 2 +- ui/public/data/litxalloy_graph.json | 3311 +++++++++++++++++++++++---- 7 files changed, 2909 insertions(+), 414 deletions(-) create mode 100644 docs/_static/core_principles.png diff --git a/README.md b/README.md index 419be72..7df93c5 100644 --- a/README.md +++ b/README.md @@ -6,7 +6,7 @@ LitXBench is a benchmark to evaluate LLMs on extracting material information synthesized in research papers. Read the preprint here.

- LitXBench Principles for Accurate Extraction and Benchmarking. (1) To accurately capture a material’s properties, measurements must be linked to its processing lineage, rather than just its composition. (2) Categorical values should be mapped to canonical values to disambiguate similar values, as multiple papers may reference different properties with the same term. (3) Extracted materials are more editable and auditable when represented as code, reducing errors in the benchmark. + LitXBench Principles for Accurate Extraction and Benchmarking. (1) To accurately capture a material’s properties, measurements must be linked to its processing lineage, rather than just its composition. (2) Categorical values should be mapped to canonical values to disambiguate similar values, as multiple papers may reference different properties with the same term. (3) Extracted materials are more editable and auditable when represented as code, reducing errors in the benchmark.

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c7655f6..9abdf3b 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -11,6 +11,8 @@ LitXBench Docs Graph Viewer Paper + GitHub + PyPI .. raw:: html @@ -208,6 +210,8 @@ LitXBench Docs Graph Viewer Paper + GitHub + PyPI

Citation

If you use LitXBench in your research, please cite:

diff --git a/docs/user/introduction.rst b/docs/user/introduction.rst index 97a1e93..1ec2b91 100644 --- a/docs/user/introduction.rst +++ b/docs/user/introduction.rst @@ -6,6 +6,8 @@ It ships with **LitXAlloy**, a dense benchmark of 1426 measurements from 19 allo with evaluation tools to measure how well an extraction method captures the materials, processes, and measurements reported in a paper. +| `GitHub `_ | `PyPI `_ | `Paper `_ | + Installation ------------ diff --git a/justfile b/justfile index f68f497..f96ca6b 100644 --- a/justfile +++ b/justfile @@ -4,7 +4,7 @@ default: # Build docs + explorer and preview locally docs: - uv run --group docs python -m sphinx docs docs/_build/html + uv run --extra docs python -m sphinx docs docs/_build/html cd ui && bash build-static.sh rm -rf docs/_build/html/explorer cp -r ui/out docs/_build/html/explorer diff --git a/scripts/ast_to_graph.py b/scripts/ast_to_graph.py index c253eaf..8aec209 100644 --- a/scripts/ast_to_graph.py +++ b/scripts/ast_to_graph.py @@ -27,7 +27,7 @@ Measurement, ) -EXTRACTIONS_DIR = Path(resolve_path("src/litxbench/evals/litxalloy/dataset/extractions")) +EXTRACTIONS_DIR = Path(resolve_path("src/litxbench/litxalloy/extractions")) OUTPUT_FILE = Path(resolve_path("ui/public/data/litxalloy_graph.json")) diff --git a/ui/public/data/litxalloy_graph.json b/ui/public/data/litxalloy_graph.json index 165fa94..af4391b 100644 --- a/ui/public/data/litxalloy_graph.json +++ b/ui/public/data/litxalloy_graph.json @@ -12,7 +12,10 @@ "kind": "RawMaterialKind.Ingot", "description": "with purity better than 99 wt%" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Ingot, description=\"with purity better than 99 wt%\", source=\"Section 2. Experimental procedure\")", + "start_line": 23, + "end_line": 23 }, { "id": "doi_10_1016__j_proeng_2012_03_043/exp:0/material:0", @@ -48,7 +51,10 @@ "equiaxed" ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTiVTa\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1092, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(\n kind=normalize(val=AlloyMeasurementKind.fracture_strain_compression, val_in_paper=\"compressive strain\"), # I verified that this is fracture strain because in figure 4a, you can see that these curves end at around the 50% mark.\n value=\">=50\",\n unit=percent,\n temperature=ROOM_TEMPERATURE,\n source=\"The samples of alloys do not break under about 50% compressive strain.\", # since they say \"break\" I think this is fracture strain\n ),\n Configuration(struct=CrysStruct.BCC, tags={ConfigTag.Dendrite, ConfigTag.Equiaxed}), # Figure 2 shows the microstructures of NbTiVTaAlx alloys. It can be seen that the microstructure of Al0 alloy consists of equiaxial dendritic-like grains\n ]\n )", + "start_line": 49, + "end_line": 62 }, { "id": "doi_10_1016__j_proeng_2012_03_043/exp:0/material:1", @@ -83,7 +89,10 @@ "dendrite" ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTiVTaAl0.25\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1330, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_compression, val_in_paper=\"compressive strain\"), value=\">=50\", unit=percent, temperature=ROOM_TEMPERATURE, source=\"The samples of alloys do not break under about 50% compressive strain.\"),\n Configuration(struct=CrysStruct.BCC, tags={ConfigTag.Dendrite}), # Al0.25, Al0.5, and Al1.0 alloys exhibit typical cast dendritic microstructure.\n ]\n )", + "start_line": 63, + "end_line": 70 }, { "id": "doi_10_1016__j_proeng_2012_03_043/exp:0/material:2", @@ -118,7 +127,10 @@ "dendrite" ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTiVTaAl0.5\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1012, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_compression, val_in_paper=\"compressive strain\"), value=\">=50\", unit=percent, temperature=ROOM_TEMPERATURE, source=\"The samples of alloys do not break under about 50% compressive strain.\"),\n Configuration(struct=CrysStruct.BCC, tags={ConfigTag.Dendrite}), # Al0.25, Al0.5, and Al1.0 alloys exhibit typical cast dendritic microstructure.\n ]\n )", + "start_line": 71, + "end_line": 78 }, { "id": "doi_10_1016__j_proeng_2012_03_043/exp:0/material:3", @@ -153,7 +165,10 @@ "dendrite" ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTiVTaAl1\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=991, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_compression, val_in_paper=\"compressive strain\"), value=\">=50\", unit=percent, temperature=ROOM_TEMPERATURE, source=\"The samples of alloys do not break under about 50% compressive strain.\"),\n Configuration(struct=CrysStruct.BCC, tags={ConfigTag.Dendrite}), # Al0.25, Al0.5, and Al1.0 alloys exhibit typical cast dendritic microstructure.\n ]\n )", + "start_line": 79, + "end_line": 86 } ], "edges": [ @@ -169,7 +184,13 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure" + "source": "Section 2. Experimental procedure", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -177,7 +198,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.\",\n source=\"Section 2. Experimental procedure\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"They mentioned that they made buttons. And since it's a water-cooled Cu hearth, it's likely they just left it in the crucible to cool and turn into buttons.\",\n ),\n ]", + "start_line": 37, + "end_line": 47 }, { "source": "doi_10_1016__j_proeng_2012_03_043/exp:0/raw:elements", @@ -191,7 +215,13 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure" + "source": "Section 2. Experimental procedure", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -199,7 +229,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.\",\n source=\"Section 2. Experimental procedure\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"They mentioned that they made buttons. And since it's a water-cooled Cu hearth, it's likely they just left it in the crucible to cool and turn into buttons.\",\n ),\n ]", + "start_line": 37, + "end_line": 47 }, { "source": "doi_10_1016__j_proeng_2012_03_043/exp:0/raw:elements", @@ -213,7 +246,13 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure" + "source": "Section 2. Experimental procedure", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -221,7 +260,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.\",\n source=\"Section 2. Experimental procedure\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"They mentioned that they made buttons. And since it's a water-cooled Cu hearth, it's likely they just left it in the crucible to cool and turn into buttons.\",\n ),\n ]", + "start_line": 37, + "end_line": 47 }, { "source": "doi_10_1016__j_proeng_2012_03_043/exp:0/raw:elements", @@ -235,7 +277,13 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure" + "source": "Section 2. Experimental procedure", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -243,7 +291,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.\",\n source=\"Section 2. Experimental procedure\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"They mentioned that they made buttons. And since it's a water-cooled Cu hearth, it's likely they just left it in the crucible to cool and turn into buttons.\",\n ),\n ]", + "start_line": 37, + "end_line": 47 } ], "descriptions": [ @@ -278,7 +329,10 @@ "kind": "RawMaterialKind.Ingot", "description": "Cr, Co, Ni ingots with purity >99.9%" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Ingot, description=\"Cr, Co, Ni ingots with purity >99.9%\")", + "start_line": 36, + "end_line": 36 }, { "id": "doi_10_1038__ncomms10602/exp:0/material:0", @@ -432,7 +486,10 @@ "source": "to achieve extremely high strain-hardening exponents on the order of 0.4", "temperature": "77 kelvin" } - ] + ], + "source_code": "Material(\n # we need to figure out which phases this grain sizes is for\n # grain_sizes=Range(lower=Measurement(kind=PhaseMeasurementKind.grain_size, value=5, unit=Micrometer), upper=Measurement(kind=PhaseMeasurementKind.grain_size, value=50, unit=Micrometer)),\n # for some of these measurements, they have uncertainties in figure 2a, but we don't care for now since it's in an image\n measurements=[\n CompMeasurement(\"CrCoNi\", method=MeasurementMethod.Balance),\n # CompositionMeasurement(\"Cr34.27Co32.59Ni33.14\", method=MeasurementMethod.EDS, source=\"image e figure 1\"), # TODO: enable when we want to involve images.\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=657, unit=MegaPascal, temperature=Quantity(value=77, unit=Kelvin), source=\"with decreasing temperature to values of sy \u00bc 657 MPa and sUTS \u00bc 1,311 MPa at 77 K.\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=1311, unit=MegaPascal, temperature=Quantity(value=77, unit=Kelvin), source=\"with decreasing temperature to values of sy \u00bc 657 MPa and sUTS \u00bc 1,311 MPa at 77 K.\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain to failure\"), value=\"~70\", unit=percent, temperature=Quantity(value=293, unit=Kelvin), source=\"abstract\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=229, unit=GigaPascal, temperature=Quantity(value=293, unit=Kelvin)),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=235, unit=GigaPascal, temperature=Quantity(value=198, unit=Kelvin)),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=241, unit=GigaPascal, temperature=Quantity(value=77, unit=Kelvin)),\n Measurement(kind=AlloyMeasurementKind.poissons_ratio_tension, value=0.31, unit=dimensionless, temperature=Quantity(value=293, unit=Kelvin)),\n Measurement(kind=AlloyMeasurementKind.poissons_ratio_tension, value=0.30, unit=dimensionless, temperature=Quantity(value=198, unit=Kelvin)),\n Measurement(kind=AlloyMeasurementKind.poissons_ratio_tension, value=0.30, unit=dimensionless, temperature=Quantity(value=77, unit=Kelvin)),\n Measurement(kind=AlloyMeasurementKind.fracture_toughness, value=208, unit=MegaPascalSquareRootMeter, temperature=Quantity(value=293, unit=Kelvin), source=\"Figure 2b caption\"),\n Measurement(kind=AlloyMeasurementKind.fracture_toughness, value=265, unit=MegaPascalSquareRootMeter, temperature=Quantity(value=198, unit=Kelvin), source=\"Figure 2b caption\"),\n Measurement(kind=AlloyMeasurementKind.fracture_toughness, value=273, unit=MegaPascalSquareRootMeter, temperature=Quantity(value=77, unit=Kelvin), source=\"Figure 2b caption\"), # the abstract says 275 (but 273 is more accurate and is mentioned in the text - and I cheated - but in the images)\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=5),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=50),\n ],\n ),\n # this measurement is commented out because the paper already mentioned \"failure strain\" in the abstract which is a duplicate of this.\n # Be careful, it's 65% here. (since 65% + 25% = 90%)\n # Measurement(\n # kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"),\n # value=\"~65\",\n # unit=percent,\n # temperature=Quantity(value=293, unit=Kelvin),\n # source=\"The tensile ductility (strain to failure, Epsilon_f) similarly increased by ~25% to ~0.9. We know this is the temperature because they mentioned it earlier in the paragraph\",\n # ),\n Measurement(\n kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain to failure\"),\n value=\"~90\",\n unit=percent,\n temperature=Quantity(value=77, unit=Kelvin),\n source=\"The tensile ductility (strain to failure, Epsilon_f) similarly increased by ~25% to ~0.9. We know this is the temperature because they mentioned it earlier in the paragraph\",\n ),\n Configuration(struct=CrysStruct.FCC, source=\"Abstract\"),\n # Note: they don't give exact values for fracture energy tension. The most they mention is \"leading to an increase in fracture energy of more than 80%\".\n # So I won't include it. fortunately, the work of fracture basically gives us the same information.\n Measurement(kind=AlloyMeasurementKind.work_of_fracture, value=3.5, unit=MegaJoulesPerMeterSquared, temperature=Quantity(value=293, unit=Kelvin), source=\"Figure 2a caption: In the same temperature range, the work of fracture increases from 3.5 MJm^{-2} to 6.4 MJm^{-2}.\"),\n Measurement(kind=AlloyMeasurementKind.work_of_fracture, value=6.4, unit=MegaJoulesPerMeterSquared, temperature=Quantity(value=77, unit=Kelvin), source=\"Figure 2a caption: In the same temperature range, the work of fracture increases from 3.5 MJm^{-2} to 6.4 MJm^{-2}.\"),\n # leading to an increase in fracture energy of more than 80%. I don't think we note \"fracture energy\"\n Measurement(kind=AlloyMeasurementKind.strain_hardening_exponent_tension, value=0.4, unit=dimensionless, temperature=Quantity(value=77, unit=Kelvin), source=\"to achieve extremely high strain-hardening exponents on the order of 0.4\"),\n ],\n )", + "start_line": 78, + "end_line": 129 } ], "edges": [ @@ -448,7 +505,10 @@ { "kind": "Arc Melting", "description": "Arc melted under an argon atmosphere", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements" + ] }, { "kind": "Drop Casting", @@ -484,7 +544,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Arc melted under an argon atmosphere\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.DropCasting, description=\"drop-cast into rectangular cross-section copper moulds measuring 25.4 \u00d7 19.1 \u00d7 127 mm\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.Homogenization, duration=Quantity(value=24, unit=Hour), temperature=Quantity(value=1200, unit=Celsius), description=\"in vacuum\", source=\"Methods. The ingots were homogenized at 1,200\u00b0C for 24 h in vacuum\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"They were cut in half length-wise\", source=\"Figure 1a. Description\"),\n # It's very interesting they do cold forging first then cross rolling. I guess they ARE making sheets.\n ProcessEvent(kind=ProcessKind.ColdForging, source=\"cold-forged and cross-rolled at room temperature along the side that is 25.4 mm to a final thickness of ~10mm\"),\n ProcessEvent(kind=ProcessKind.CrossRolling, source=\"cold-forged and cross-rolled at room temperature along the side that is 25.4 mm to a final thickness of ~10mm\"),\n ProcessEvent(kind=ProcessKind.Annealing, duration=Quantity(value=1, unit=Hour), temperature=Quantity(value=800, unit=Celsius), description=\"annealed in air\", source=\"Methods -> Materials processing and microstructural characterization\"),\n ]", + "start_line": 67, + "end_line": 76 } ], "descriptions": [ @@ -538,7 +601,10 @@ "kind": "RawMaterialKind.Ingot", "description": "Al,Co,Cr,Fe,Ni elements with purity better than 99.9 wt%" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Ingot, description=\"Al,Co,Cr,Fe,Ni elements with purity better than 99.9 wt%\")", + "start_line": 30, + "end_line": 30 }, { "id": "doi_10_1038__s41467_019_08460_2/exp:0/material:0", @@ -578,7 +644,10 @@ "description": "rich in Cr", "source": "in the as-cast EHEA, the Cr-rich precipitates are densely dispersed inside the B2 lamellae" } - ] + ], + "source_code": "Material(\n process=\"elements->creation\",\n name=\"as-cast_EHEA\",\n measurements=[\n CompMeasurement(\"AlCoCrFeNi2.1\", method=MeasurementMethod.Balance),\n Configuration(name=\"soft FCC lamellae\", struct=CrysStruct.FCC, tags={ConfigTag.Lamellar}, source=\"Similar to the as-cast EHEA (Fig. 1a), the tailored DPHL HEA showed a typical lamella morphology\"),\n Configuration(name=\"hard B2 lamellae\", struct=CrysStruct.B2, tags={ConfigTag.Lamellar}, source=\"Similar to the as-cast EHEA (Fig. 1a), the tailored DPHL HEA showed a typical lamella morphology\"),\n Configuration(within=\"hard B2 lamellae\", description=\"rich in Cr\", tags={ConfigTag.Precipitate}, source=\"in the as-cast EHEA, the Cr-rich precipitates are densely dispersed inside the B2 lamellae\"),\n ],\n )", + "start_line": 67, + "end_line": 76 }, { "id": "doi_10_1038__s41467_019_08460_2/exp:0/material:1", @@ -614,8 +683,8 @@ "name": "intragranular B2 grains", "struct": "B2", "tags": [ - "intragranular", - "precipitate" + "precipitate", + "intragranular" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -626,14 +695,17 @@ "name": "intergranular B2 grains", "struct": "B2", "tags": [ - "intergranular", - "precipitate" + "precipitate", + "intergranular" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", "source": "When talking about DPHL700's structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1)." } - ] + ], + "source_code": "Material(\n process=\"as-cast_EHEA->cold_rolling->annealing[Temp=660]->quenching\",\n name=\"DPHL660\",\n measurements=[\n CompMeasurement(\"AlCoCrFeNi2.1\"),\n Configuration(name=\"soft FCC lamellae\", struct=CrysStruct.FCC, tags={ConfigTag.Lamellar}, source=\"When talking about DPHL700's structure: This had similar grain structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\"),\n Configuration(name=\"hard B2 lamellae\", struct=CrysStruct.B2, tags={ConfigTag.Lamellar}, source=\"When talking about DPHL700's structure: This had similar grain structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\"),\n Configuration(\n struct=CrysStruct.B2,\n name=\"intragranular B2 grains\",\n tags={ConfigTag.Intragranular, ConfigTag.Precipitate},\n description=\"NiAl-rich precipitates\",\n # the main materials are the 660, 700, and 740 samples because of this sentence: (so we know when they say other two, they do NOT mean the 900 sample)\n # In this study, we prepared three EHEAs with the DPHL structure, and denoted them as DPHL660, DPHL700, and DPHL740 as per their different annealing temperatures, to study their mechanical behavior and deformation mechanisms.\n source=\"When talking about DPHL700's structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\",\n within=\"soft FCC lamellae\",\n ),\n Configuration(\n struct=CrysStruct.B2,\n name=\"intergranular B2 grains\",\n description=\"NiAl-rich precipitates\",\n tags={ConfigTag.Intergranular, ConfigTag.Precipitate},\n source=\"When talking about DPHL700's structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\",\n within=\"soft FCC lamellae\",\n ),\n # NOTE: once we process images from this paper, we can get much more accurate measurements. (since there is the graph we can pull the data from)\n # I decided to NOT copy over the measurements from the other EHEA paper. Even though our paper says that it's similar,\n # the paper casts doubt on the accuracy of the other paper's measurements:\n # \"However, it is noted that the tensile data in ref. 23 is not consistent with its stress\u2013strain curve, and the real data ought to be yield strength of ~1.15 GPa and ductility of ~14% from the curve.\"\n # this doubt makes me not believe these measurements. so we'll need to wait until we can process images from this paper.\n # Measurement(\n # kind=AlloyMeasurementKind.yield_strength_tension,\n # value=\"~1.437\", # This is from an EHEA from a diff paper. But the paper said that the DPHL660 sample has similar properties\n # unit=GigaPascal,\n # source=\"Recently, Bhattacharjee et al. processed a complex and hierarchical microstructure in the same AlCoCrFeNi2.1 EHEAs by heavy cryo-rolling and annealing23, which shows a better strength\u2013ductility balance (yield strength of ~1.437 GPa and ductility of ~14%) than the ultrafine-grained EHEA7 and a comparable property combination to that of our DPHL660 (Fig. 2a).\",\n # ),\n # Measurement(\n # kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"ductility\"),\n # value=\"~14\", # This is from an EHEA from a diff paper. But the paper said that the DPHL660 sample has similar properties\n # unit=percent,\n # source=\"Tensile-properties section: 'Recently, Bhattacharjee et al. processed a complex and hierarchical microstructure in the same AlCoCrFeNi2.1 EHEAs by heavy cryo-rolling and annealing23, which shows a better strength\u2013ductility balance (yield strength of ~1.437 GPa and ductility of ~14%) than the ultrafine-grained EHEA7 and a comparable property combination to that of our DPHL660 (Fig. 2a).'\",\n # ),\n ],\n )", + "start_line": 78, + "end_line": 121 }, { "id": "doi_10_1038__s41467_019_08460_2/exp:0/material:2", @@ -666,8 +738,8 @@ "name": "soft FCC lamellae", "struct": "FCC", "tags": [ - "lamellar", - "twin" + "twin", + "lamellar" ], "description": "rich in Fe and Cr", "source": "the enriched Fe and Cr lamellae corresponded to FCC grains", @@ -685,8 +757,8 @@ "name": "intragranular B2 grains", "struct": "B2", "tags": [ - "intragranular", - "precipitate" + "precipitate", + "intragranular" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -713,8 +785,8 @@ "name": "intergranular B2 grains", "struct": "B2", "tags": [ - "intergranular", - "precipitate" + "precipitate", + "intergranular" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -780,7 +852,10 @@ "unit": "percent", "source": "Fig. 3 caption: b,c STEM images of the microstructure stretched to fracture (\u025b = 21%). The dual-phase lamellae and P2 (indicated by yellow dashed lines and red arrows, respectively) show apparent dislocations." } - ] + ], + "source_code": "Material(\n process=\"as-cast_EHEA->cold_rolling->annealing[Temp=700]->quenching\",\n name=\"DPHL700\",\n measurements=[\n CompMeasurement(\"AlCoCrFeNi2.1\"),\n # we infer that this yeild strength and fracture strain is in reference to the 700 and 740 samples since the 900 sample sucks and we have an indication of the yileld strength and ductility for the 600 sample.\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=\"~1.5\", unit=GigaPascal, temperature=ROOM_TEMPERATURE, source=\"In the present work, the yield strength on the order of 1.5 GPa along with ~16% elongation have rarely been achieved in existing HEAs\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"elongation\"), value=\"~16\", unit=percent, temperature=ROOM_TEMPERATURE),\n # We know that this structural information is for the 700 sample, because the Results->Microstructure characterization section keeps referencing subfigures from Figure 1.\n # And the caption of Figure 1 says: \"Fig. 1 Microstructures of the as-cast EHEA and the hierarchical DPHL700.\"\n # But Note! only subfigure a is for the base as-cast EHEA. All the other subfigures are for the DPHL700 sample. which we know (because of the start of the figure caption says it's for the 700 sample).\n # annealing twins were occasionally seen in FCC grains (Fig. 1d, g)\n Configuration(\n name=\"soft FCC lamellae\",\n struct=CrysStruct.FCC,\n tags={ConfigTag.Lamellar, normalize(val=ConfigTag.Twin, val_in_paper=\"annealing twins\")},\n description=\"rich in Fe and Cr\",\n source=\"the enriched Fe and Cr lamellae corresponded to FCC grains\",\n measurements=[Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.71\", unit=Micrometer)],\n ),\n Configuration(\n struct=CrysStruct.B2, # f also exhibited many BCC-phase precipitates in FCC lamellae.\n name=\"intragranular B2 grains\",\n tags={ConfigTag.Intragranular, ConfigTag.Precipitate},\n description=\"NiAl-rich precipitates\",\n source=\"They presented two types of NiAl-rich precipitates: the small and scarce P1 (intragranular B2 grains) of size 50\u2013180 nm, and the large and primary P2 (intergranular B2 grains) with an average size of ~350 nm (Fig. 1f).\",\n within=\"soft FCC lamellae\",\n measurements=[\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Nanometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=50),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=180),\n ],\n ),\n ],\n ),\n Configuration(\n struct=CrysStruct.B2, # f also exhibited many BCC-phase precipitates in FCC lamellae.\n name=\"intergranular B2 grains\",\n description=\"NiAl-rich precipitates\",\n tags={ConfigTag.Intergranular, ConfigTag.Precipitate},\n source=\"They presented two types of NiAl-rich precipitates: the small and scarce P1 (intragranular B2 grains) of size 50\u2013180 nm, and the large and primary P2 (intergranular B2 grains) with an average size of ~350 nm (Fig. 1f).\",\n within=\"soft FCC lamellae\",\n measurements=[Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~350\", unit=Nanometer, measurement_statistic=MeasurementStatistic.mean)],\n ),\n Configuration(\n name=\"hard B2 lamellae\",\n struct=CrysStruct.B2,\n description=\"rich in Ni and Al.\",\n tags={ConfigTag.Lamellar},\n source=\"the NiAl-rich lamellae (thickness of ~1 \u03bcm) were B2 grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.71\", unit=Micrometer),\n Measurement(kind=PhaseMeasurementKind.length, value=\"~1\", unit=Micrometer, description=\"thickness of ~1 \u03bcm\", source=\"diffraction patterns (SADPs) suggested that the NiAl-rich lamellae (thickness of ~1 \u03bcm)\"),\n ],\n ),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.volume_fraction,\n unit=percent,\n description=\"directionally aligned along the rolling direction\",\n source=\"the resultant samples possess massive special lamellae (~82\u201387 vol.%) with a directionally aligned arrangement along the rolling direction\",\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=\"~82\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=\"~87\"),\n ],\n ),\n # we know this measurement is for this sample because this sample has the laellae and primary P2 (which the second half of the source text mentions)\n Measurement(\n kind=AlloyMeasurementKind.fracture_strain_tension, value=21, unit=percent, source=\"Fig. 3 caption: b,c STEM images of the microstructure stretched to fracture (\u025b = 21%). The dual-phase lamellae and P2 (indicated by yellow dashed lines and red arrows, respectively) show apparent dislocations.\"\n ),\n ],\n )", + "start_line": 122, + "end_line": 195 }, { "id": "doi_10_1038__s41467_019_08460_2/exp:0/material:3", @@ -816,8 +891,8 @@ "name": "intragranular B2 grains", "struct": "B2", "tags": [ - "intragranular", - "precipitate" + "precipitate", + "intragranular" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -828,8 +903,8 @@ "name": "intergranular B2 grains", "struct": "B2", "tags": [ - "intergranular", - "precipitate" + "precipitate", + "intergranular" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -850,7 +925,10 @@ "unit": "percent", "temperature": "~23 degree_Celsius" } - ] + ], + "source_code": "Material(\n process=\"as-cast_EHEA->cold_rolling->annealing[Temp=740]->quenching\",\n name=\"DPHL740\",\n measurements=[\n CompMeasurement(\"AlCoCrFeNi2.1\"),\n Configuration(name=\"soft FCC lamellae\", struct=CrysStruct.FCC, tags={ConfigTag.Lamellar}, source=\"When talking about DPHL740's structure: This had similar grain structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\"),\n Configuration(name=\"hard B2 lamellae\", struct=CrysStruct.B2, tags={ConfigTag.Lamellar}, source=\"When talking about DPHL740's structure: This had similar grain structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\"),\n Configuration(\n struct=CrysStruct.B2,\n name=\"intragranular B2 grains\",\n tags={ConfigTag.Intragranular, ConfigTag.Precipitate},\n description=\"NiAl-rich precipitates\",\n # the main materials are the 660, 700, and 740 samples because of this sentence: (so we know when they say other two, they do NOT mean the 900 sample)\n # In this study, we prepared three EHEAs with the DPHL structure, and denoted them as DPHL660, DPHL700, and DPHL740 as per their different annealing temperatures, to study their mechanical behavior and deformation mechanisms.\n source=\"When talking about DPHL700's structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\",\n within=\"soft FCC lamellae\",\n ),\n Configuration(\n struct=CrysStruct.B2,\n name=\"intergranular B2 grains\",\n description=\"NiAl-rich precipitates\",\n tags={ConfigTag.Intergranular, ConfigTag.Precipitate},\n source=\"When talking about DPHL700's structure: Such structural characteristics were also seen in the other two DPHL HEAs (Supplementary Fig. 1).\",\n within=\"soft FCC lamellae\",\n ),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=\"~1.5\", unit=GigaPascal, temperature=ROOM_TEMPERATURE, source=\" In the present work, the yield strength on the order of 1.5 GPa along with ~16% elongation have rarely been achieved in existing HEAs\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"elongation\"), value=\"~16\", unit=percent, temperature=ROOM_TEMPERATURE),\n ],\n )", + "start_line": 196, + "end_line": 224 }, { "id": "doi_10_1038__s41467_019_08460_2/exp:0/material:4", @@ -863,7 +941,10 @@ "formula": "Al1 Cr1 Fe1 Co1 Ni2.1", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"as-cast_EHEA->cold_rolling->annealing[Temp=900]->quenching\", name=\"DPHL900\", measurements=[CompMeasurement(\"AlCoCrFeNi2.1\")])", + "start_line": 225, + "end_line": 225 } ], "edges": [ @@ -879,7 +960,10 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere. The melting was repeated at least five times to achieve a good chemical homogeneity of the alloy.", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements" + ] }, { "kind": "Suction Casting", @@ -888,7 +972,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Arc melted under a Ti-gettered high-purity argon atmosphere. The melting was repeated at least five times to achieve a good chemical homogeneity of the alloy.\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.SuctionCasting, description=\"The molten alloy was suction-cast into a 30 mm (width) x 100 mm (length) \u00d7 6 mm (thickness) copper mold.\", source=\"Methods.\"),\n ]", + "start_line": 51, + "end_line": 54 }, { "source": "doi_10_1038__s41467_019_08460_2/exp:0/material:0", @@ -902,7 +989,13 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods." + "source": "Methods.", + "inputs": [ + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA" + ] } ] }, @@ -936,7 +1029,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ColdRolling, description=\"multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.\", source=\"Methods.\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.NonIsothermalAnnealing, description=\"heating_rate is 10 C/min\", temperature=Quantity(value=\"[Temp]\", unit=Celsius), source=\"Methods | Sample Preparation\"),\n ProcessEvent(kind=ProcessKind.IsothermalHolding, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=1, unit=Hour), source=\"Methods | Sample Preparation\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"Methods | Sample Preparation\"),\n ]", + "start_line": 55, + "end_line": 64 }, { "source": "doi_10_1038__s41467_019_08460_2/exp:0/material:0", @@ -950,7 +1046,13 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods." + "source": "Methods.", + "inputs": [ + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA" + ] } ] }, @@ -984,7 +1086,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ColdRolling, description=\"multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.\", source=\"Methods.\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.NonIsothermalAnnealing, description=\"heating_rate is 10 C/min\", temperature=Quantity(value=\"[Temp]\", unit=Celsius), source=\"Methods | Sample Preparation\"),\n ProcessEvent(kind=ProcessKind.IsothermalHolding, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=1, unit=Hour), source=\"Methods | Sample Preparation\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"Methods | Sample Preparation\"),\n ]", + "start_line": 55, + "end_line": 64 }, { "source": "doi_10_1038__s41467_019_08460_2/exp:0/material:0", @@ -998,7 +1103,13 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods." + "source": "Methods.", + "inputs": [ + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA" + ] } ] }, @@ -1032,7 +1143,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ColdRolling, description=\"multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.\", source=\"Methods.\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.NonIsothermalAnnealing, description=\"heating_rate is 10 C/min\", temperature=Quantity(value=\"[Temp]\", unit=Celsius), source=\"Methods | Sample Preparation\"),\n ProcessEvent(kind=ProcessKind.IsothermalHolding, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=1, unit=Hour), source=\"Methods | Sample Preparation\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"Methods | Sample Preparation\"),\n ]", + "start_line": 55, + "end_line": 64 }, { "source": "doi_10_1038__s41467_019_08460_2/exp:0/material:0", @@ -1046,7 +1160,13 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods." + "source": "Methods.", + "inputs": [ + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA", + "as-cast_EHEA" + ] } ] }, @@ -1080,7 +1200,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ColdRolling, description=\"multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.\", source=\"Methods.\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.NonIsothermalAnnealing, description=\"heating_rate is 10 C/min\", temperature=Quantity(value=\"[Temp]\", unit=Celsius), source=\"Methods | Sample Preparation\"),\n ProcessEvent(kind=ProcessKind.IsothermalHolding, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=1, unit=Hour), source=\"Methods | Sample Preparation\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"Methods | Sample Preparation\"),\n ]", + "start_line": 55, + "end_line": 64 } ], "descriptions": [ @@ -1113,7 +1236,10 @@ "kind": "RawMaterialKind.Powder", "description": "Compressed powder pellets of high purity (>= 99.9%) Sigma-Aldrich powders" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Powder, description=\"Compressed powder pellets of high purity (>= 99.9%) Sigma-Aldrich powders\", source=\"synthesized by arc-melting compressed pellets of elemental, high-purity powders (Sigma-Aldrich, purity \u226599.9%)\")", + "start_line": 22, + "end_line": 22 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:0", @@ -1180,7 +1306,10 @@ "value": 0.38, "unit": "dimensionless" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Co33 W07 Al33 Nb24 Cr03\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=1084, unit=HV, uncertainty=37),\n Configuration(\n # How do we know this is a BCC phase? The paper says this:\n # \"Given that there is no obvious partitioning of the Nb and W, it is assumed that they form a solid solution. This behavior would not be unexpected given that both Nb and W are bcc and exhibit complete solid solubility\"\n # This sentence is when the paragraph is talking about the hardest alloy. There is a chance that it's referencing the softest alloy as well. But we know that's not the case because the next paragraph\n # starts with: \"The corresponding images for the softest alloy are shown in Figs 7 and 8.\" So it's talking about the hardest alloy\n struct=CrysStruct.BCC,\n tags={ConfigTag.Dendrite},\n description=\"Rich in Nb and W\",\n source=\"Figure 6 caption. BCC is known because 'both Nb and W are bcc and exhibit complete solid solubility'\",\n measurements=[\n # I decided to not add this inference since we cannot 100% assume it's 87%. Also it's not explicitly mentioned in the text.\n # Measurement(\n # kind=PhaseMeasurementKind.volume_fraction,\n # value=87, # we can assume that this volume fraction is 87% since the interdendritic phase is 13%\n # unit=percent,\n # source=\"It can be seen that the microstructure is dendritic (which is consistent with a cast alloy), with a relatively small volume fraction (13 vol. %) of inter- dendritic phase.\",\n # ),\n ],\n ),\n Configuration(\n name=\"interdendritic\",\n tags={ConfigTag.Interdendritic, ConfigTag.Eutectic},\n source=\"Figure 6 caption\",\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.volume_fraction,\n value=13,\n unit=percent,\n source=\"It can be seen that the microstructure is dendritic (which is consistent with a cast alloy), with a relatively small volume fraction (13 vol. %) of inter- dendritic phase.\",\n ),\n ],\n ),\n Configuration(name=\"interdendritic phase 1\", within=\"interdendritic\", description=\"Rich in Nb\", source=\"Figure 6 caption\"), # they don't tell us the volume fraction of these interdendritic phases :(\n Configuration(name=\"interdendritic phase 2\", within=\"interdendritic\", description=\"Rich in Al, Co, and Cr\", source=\"Figure 6 caption\"),\n Measurement(kind=AlloyMeasurementKind.pugh_ductility_ratio, value=0.38, unit=dimensionless), # commented since this is a calculated property\n ],\n )", + "start_line": 33, + "end_line": 73 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:1", @@ -1206,7 +1335,10 @@ "value": 0.47, "unit": "dimensionless" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Ti18 Ni24 Ta12 Cr22 Co24\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=1011, unit=HV, uncertainty=20),\n Measurement(kind=AlloyMeasurementKind.pugh_ductility_ratio, value=0.47, unit=dimensionless), # commented since this is a calculated property\n ],\n )", + "start_line": 74, + "end_line": 80 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:2", @@ -1226,7 +1358,10 @@ "unit": "HV", "uncertainty": 47 } - ] + ], + "source_code": "Material(measurements=[CompMeasurement(\"Co6 W9 Al36 Mo38 Ni11\", method=MeasurementMethod.Balance), Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=725, unit=HV, uncertainty=47)])", + "start_line": 81, + "end_line": 81 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:3", @@ -1246,7 +1381,10 @@ "unit": "HV", "uncertainty": 43 } - ] + ], + "source_code": "Material(measurements=[CompMeasurement(\"Ni47 Co02 Ta12 Ti9 Nb30\", method=MeasurementMethod.Balance), Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=815, unit=HV, uncertainty=43)])", + "start_line": 82, + "end_line": 82 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:4", @@ -1266,7 +1404,10 @@ "unit": "HV", "uncertainty": 13 } - ] + ], + "source_code": "Material(measurements=[CompMeasurement(\"Ti44 Ni02 Nb21 Cr21 Co12\", method=MeasurementMethod.Balance), Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=422, unit=HV, uncertainty=13)])", + "start_line": 83, + "end_line": 83 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:5", @@ -1286,7 +1427,10 @@ "unit": "HV", "uncertainty": 29 } - ] + ], + "source_code": "Material(measurements=[CompMeasurement(\"Ti32 Nb9 Ta01 Cr19 Co39\", method=MeasurementMethod.Balance), Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=856, unit=HV, uncertainty=29)])", + "start_line": 84, + "end_line": 84 }, { "id": "doi_10_1038__s41467_019_10533_1/exp:0/material:6", @@ -1309,8 +1453,8 @@ { "type": "phase", "tags": [ - "coring", - "dendrite" + "dendrite", + "coring" ], "description": "Rich in Nb, Ta, and W", "source": "Figure 7 caption: The figure shows a dendritic microstructure similar to that of traditionally cast alloys. the dendrites are enriched in Nb, Ta, and W, whereas the inter-dendritic regions contain a greater proportion of Co and Ti" @@ -1332,7 +1476,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Ti39 W04 Nb31 Ta04 Co22\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=277, unit=HV, uncertainty=12),\n Configuration(\n tags={\n ConfigTag.Dendrite,\n ConfigTag.Coring,\n }, # How we know coring is likely to exist: \"the slight differences in contrast at the edges of the dendrites suggest the possibility of coring. This observation is confirmed by the compositional maps where it can be seen that, for a given dendrite structure, the spatial extent of Nb and Ta enrichment is the greatest while W is confined to the dendrite inner core\"\n description=\"Rich in Nb, Ta, and W\",\n source=\"Figure 7 caption: The figure shows a dendritic microstructure similar to that of traditionally cast alloys. the dendrites are enriched in Nb, Ta, and W, whereas the inter-dendritic regions contain a greater proportion of Co and Ti\",\n ),\n Configuration(\n tags={ConfigTag.Interdendritic},\n description=\"Rich in Co and Ti\", # the dendrites are enriched in Nb, Ta, and W, whereas the inter-dendritic regions contain a greater proportion of Co and Ti\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.volume_fraction,\n value=53,\n unit=percent,\n source=\"This microstructure of Ti39 W04 Nb31 Ta04 Co22 is also dendritic, but the volume fraction of inter-dentritic material is much higher here (53 vol. %)\",\n ),\n ],\n source=\"Figure 7 caption: The figure shows a dendritic microstructure similar to that of traditionally cast alloys\",\n ),\n ]\n )", + "start_line": 85, + "end_line": 111 } ], "edges": [ @@ -1348,7 +1495,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1360,7 +1516,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 }, { "source": "doi_10_1038__s41467_019_10533_1/exp:0/raw:elements", @@ -1374,7 +1533,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1386,7 +1554,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 }, { "source": "doi_10_1038__s41467_019_10533_1/exp:0/raw:elements", @@ -1400,7 +1571,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1412,7 +1592,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 }, { "source": "doi_10_1038__s41467_019_10533_1/exp:0/raw:elements", @@ -1426,7 +1609,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1438,7 +1630,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 }, { "source": "doi_10_1038__s41467_019_10533_1/exp:0/raw:elements", @@ -1452,7 +1647,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1464,7 +1668,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 }, { "source": "doi_10_1038__s41467_019_10533_1/exp:0/raw:elements", @@ -1478,7 +1685,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1490,7 +1706,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 }, { "source": "doi_10_1038__s41467_019_10533_1/exp:0/raw:elements", @@ -1504,7 +1723,16 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -1516,7 +1744,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.ArcMelting, description=\"Also, arc-melted pellets were remelted four times to ensure homogeneity\", source=\"Methods\"), # arc melt is mentioned in the abstract. No atmosphere is specified\n ProcessEvent(kind=ProcessKind.AsCast, source=\"Dendritic microstructure 'consistent with a cast alloy' (Figure 7). We also guess that they solidified in place after arc melting cause they made pellets.\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"We know they have a polishing step because: 'Each indent was performed on a polished surface'\"),\n ]", + "start_line": 23, + "end_line": 27 } ], "descriptions": [ @@ -1543,7 +1774,10 @@ "kind": "RawMaterialKind.Unspecified", "description": null } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified)", + "start_line": 34, + "end_line": 34 }, { "id": "doi_10_1038__s41598_017_16509_9/exp:0/material:0", @@ -1591,7 +1825,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"elements->cast_sheet\",\n name=\"as-homogenized\",\n measurements=[\n CompMeasurement(\"Fe50Mn30Co10Cr10\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.true_stress_tension, value=800, unit=MegaPascal, description=\"with uniform elongation of 35%\", source=\"Stress-strain behavior paragraph\"),\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_tension,\n value=198,\n unit=MegaPascal,\n temperature=ROOM_TEMPERATURE,\n source=\"significant improvement of the 350 RPM treated sample led to a value of 298MPa compared to a value of 198MPa for the as-homogenized sample\",\n ),\n Configuration(name=\"h.c.p. epsilon-phase\", struct=CrysStruct.HCP),\n Configuration(\n name=\"f.c.c. gamma-phase\",\n struct=CrysStruct.FCC,\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.grain_size,\n value=\"~100\",\n unit=Micrometer,\n source=\"highlighting the drastic reduction in average grain size from ~100 \u00b5m to 6.5 and 5.2 \u00b5m, respectively. We know this grain size is on the FCC phase because we know 5.2 \u00b5m is on the FCC phase: 'The FSP engineered DP-HEA has a similar f.c.c \u03b3 average grain size (6.5\u03bcm)'\",\n ),\n ],\n ),\n ],\n )", + "start_line": 49, + "end_line": 76 }, { "id": "doi_10_1038__s41598_017_16509_9/exp:0/material:1", @@ -1655,7 +1892,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"elements->cast_sheet->FSP[RotationRate=350]\",\n measurements=[\n CompMeasurement(\"Fe50Mn30Co10Cr10\", method=MeasurementMethod.Balance),\n # CompositionMeasurement(\"Fe49.58Mn29.57Co10.82Cr10.03\", method=MeasurementMethod.EDS), # TODO: enable when we want to involve images\n Measurement(kind=AlloyMeasurementKind.true_stress_tension, value=1400, unit=MegaPascal, description=\"at almost 45% elongation\", source=\"Stress-strain behavior paragraph\"),\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_tension,\n value=298,\n unit=MegaPascal,\n temperature=ROOM_TEMPERATURE,\n source=\"significant improvement of the 350 RPM treated sample led to a value of 298MPa compared to a value of 198MPa for the as-homogenized sample\",\n ),\n Configuration(\n name=\"h.c.p. epsilon-phase\",\n struct=CrysStruct.HCP,\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.volume_fraction,\n value=\"~10\",\n unit=percent,\n source=\"After FSP we find that the same alloy showed ~8 and ~10% of h.c.p. at similar grain sizes of ~5.2 and 6.5 \u03bcm, respectively.\",\n ),\n ],\n ),\n Configuration(\n name=\"f.c.c. gamma-phase\",\n struct=CrysStruct.FCC,\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=\"~90\", unit=percent, source=\"This enhanced combination of strength and ductility was partly attributed to ~90% f.c.c. \u03b3-phase\"),\n Measurement(\n kind=PhaseMeasurementKind.grain_size,\n value=6.5,\n unit=Micrometer,\n source=\"We know this grain size is on the FCC phase because: 'The FSP engineered DP-HEA has a similar f.c.c \u03b3 average grain size (6.5\u03bcm)'\",\n ),\n ],\n ),\n ],\n )", + "start_line": 79, + "end_line": 118 }, { "id": "doi_10_1038__s41598_017_16509_9/exp:0/material:2", @@ -1719,7 +1959,10 @@ "source": "The 650 RPM treated sample showed ~200 MPa increase in YS (Fig. 2a) compared to the as-homogenized condition.", "temperature": "~23 degree_Celsius" } - ] + ], + "source_code": "Material(\n process=\"elements->cast_sheet->FSP[RotationRate=650]\",\n measurements=[\n CompMeasurement(\"Fe50Mn30Co10Cr10\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.true_stress_tension, value=1200, unit=MegaPascal, description=\"at almost 42% elongation\", source=\"Stress-strain behavior paragraph\"),\n Configuration(\n name=\"h.c.p. epsilon-phase\",\n struct=CrysStruct.HCP,\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.volume_fraction,\n value=\"~8\",\n unit=percent,\n source=\"After FSP we find that the same alloy showed ~8 and ~10% of h.c.p. at similar grain sizes of ~5.2 and 6.5 \u03bcm, respectively.\",\n ),\n ],\n ),\n Configuration(\n name=\"f.c.c. gamma-phase\",\n struct=CrysStruct.FCC,\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.volume_fraction,\n value=\"~90\",\n unit=percent,\n source=\"This enhanced combination of strength and ductility was partly attributed to ~90% f.c.c. \u03b3-phase\",\n ),\n Measurement(\n kind=PhaseMeasurementKind.grain_size,\n value=5.2,\n unit=Micrometer,\n source=\"maps for the as-homogenized and 350 and 650 rotations per minute (RPM) treated FSP samples, highlighting the drastic reduction in average grain size from ~100 \u00b5m to 6.5 and 5.2 \u00b5m, respectively\",\n ),\n ],\n ),\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_tension,\n value=398, # Yes. this is calculated from the base yield strength. But I think it's fine since the paper explicitly give us the ~200Mpa increase. a few Mpa difference is not that big of a deal.\n unit=MegaPascal,\n temperature=ROOM_TEMPERATURE,\n source=\"The 650 RPM treated sample showed ~200 MPa increase in YS (Fig. 2a) compared to the as-homogenized condition.\",\n ),\n ],\n )", + "start_line": 119, + "end_line": 162 } ], "edges": [ @@ -1735,7 +1978,12 @@ { "kind": "Induction Melting", "description": "The TRIP HEA was produced by melting and casting in a vacuum induction furnace", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements" + ] }, { "kind": "Gravity Casting", @@ -1766,7 +2014,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=normalize(ProcessKind.InductionMelting, \"Vacuum Induction Melting\"), description=\"The TRIP HEA was produced by melting and casting in a vacuum induction furnace\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, source=\"The TRIP HEA was produced by melting and casting in a vacuum induction furnace\"),\n ProcessEvent(kind=ProcessKind.HotRolling, temperature=Quantity(value=900, unit=Celsius), description=\"hot-rolled to a thickness reduction of 50% (from 40 to 20mm)\", source=\"Methods->Materials and Processing\"),\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1200, unit=Celsius), duration=Quantity(value=5, unit=Hour), description=\"In argon atmosphere\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, description=\"Used ice water\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"sheets of 5 mm were machined out of the block by electro-discharge machining\", source=\"Methods\"),\n ]", + "start_line": 36, + "end_line": 43 }, { "source": "doi_10_1038__s41598_017_16509_9/exp:0/raw:elements", @@ -1780,7 +2031,12 @@ { "kind": "Induction Melting", "description": "The TRIP HEA was produced by melting and casting in a vacuum induction furnace", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements" + ] }, { "kind": "Gravity Casting", @@ -1824,7 +2080,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=normalize(ProcessKind.InductionMelting, \"Vacuum Induction Melting\"), description=\"The TRIP HEA was produced by melting and casting in a vacuum induction furnace\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, source=\"The TRIP HEA was produced by melting and casting in a vacuum induction furnace\"),\n ProcessEvent(kind=ProcessKind.HotRolling, temperature=Quantity(value=900, unit=Celsius), description=\"hot-rolled to a thickness reduction of 50% (from 40 to 20mm)\", source=\"Methods->Materials and Processing\"),\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1200, unit=Celsius), duration=Quantity(value=5, unit=Hour), description=\"In argon atmosphere\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, description=\"Used ice water\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"sheets of 5 mm were machined out of the block by electro-discharge machining\", source=\"Methods\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.FrictionStirProcessing, description=\"rotational rate is [RotationRate] revolutions/min\", source=\"Methods\"),\n ]", + "start_line": 36, + "end_line": 46 }, { "source": "doi_10_1038__s41598_017_16509_9/exp:0/raw:elements", @@ -1838,7 +2097,12 @@ { "kind": "Induction Melting", "description": "The TRIP HEA was produced by melting and casting in a vacuum induction furnace", - "source": "Methods" + "source": "Methods", + "inputs": [ + "elements", + "elements", + "elements" + ] }, { "kind": "Gravity Casting", @@ -1882,7 +2146,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=normalize(ProcessKind.InductionMelting, \"Vacuum Induction Melting\"), description=\"The TRIP HEA was produced by melting and casting in a vacuum induction furnace\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, source=\"The TRIP HEA was produced by melting and casting in a vacuum induction furnace\"),\n ProcessEvent(kind=ProcessKind.HotRolling, temperature=Quantity(value=900, unit=Celsius), description=\"hot-rolled to a thickness reduction of 50% (from 40 to 20mm)\", source=\"Methods->Materials and Processing\"),\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1200, unit=Celsius), duration=Quantity(value=5, unit=Hour), description=\"In argon atmosphere\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, description=\"Used ice water\", source=\"Methods\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"sheets of 5 mm were machined out of the block by electro-discharge machining\", source=\"Methods\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.FrictionStirProcessing, description=\"rotational rate is [RotationRate] revolutions/min\", source=\"Methods\"),\n ]", + "start_line": 36, + "end_line": 46 } ], "descriptions": [ @@ -1915,7 +2182,10 @@ "kind": "RawMaterialKind.Ingot", "description": "99.95% pure Al, Cu, Fe, Mg, Si and Zn. Tablets of Al-Cr, Al-Mn, Al-Ni and Al-Zr containing 75 wt.% of Cr, 80 wt., 80 wt.% of Mn, 80 wt.% of Ni and 75 wt.% of Zr respectively were used." } - } + }, + "source_code": "RawMaterial(\n kind=RawMaterialKind.Ingot,\n description=\"99.95% pure Al, Cu, Fe, Mg, Si and Zn. Tablets of Al-Cr, Al-Mn, Al-Ni and Al-Zr containing 75 wt.% of Cr, 80 wt., 80 wt.% of Mn, 80 wt.% of Ni and 75 wt.% of Zr respectively were used.\",\n )", + "start_line": 48, + "end_line": 51 }, { "id": "doi_10_1038__s41598_019_43329_w/exp:0/material:0", @@ -2018,7 +2288,10 @@ "description": "S.G. = 14", "source": "Figure 3(a): 'The XRD pattern in Fig. 3(a) also showed the formation of Al2Cu (S.G. = 140), AlxCu2Mg6Si7 (S.G. = 174) and Al9Fe2Si2 phase (S.G. = 14) in Al65Cu5Fe5Mg5Si15Zn5 alloy.'" } - ] + ], + "source_code": "Material(\n name=\"MEA-1\", # labelled by figure 5\n process=\"elements->melting[Temp=790]->casting[Temp=760]\",\n measurements=[\n CompMeasurement(\"Al65Cu5Fe5Mg5Si15Zn5\", method=MeasurementMethod.Balance),\n CompMeasurement({\"Al\": 64, \"Mg\": 6, \"Si\": 13, \"Zn\": 6, \"Cu\": 5, \"Fe\": 4, \"O\": 2}, method=MeasurementMethod.EDS, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.density, value=3.08, unit=gram_per_cm3, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=422, unit=MegaPascal, uncertainty=75, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=235, unit=HV, uncertainty=85),\n Measurement(kind=AlloyMeasurementKind.ultimate_compressive_strength, value=482, unit=MegaPascal, uncertainty=98, temperature=ROOM_TEMPERATURE, source=\"Table 3\"), # in the paper it's Maximum Compressive Strength\n Measurement(kind=normalize(AlloyMeasurementKind.fracture_strain_compression, \"plastic strain\"), value=1, unit=percent, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=88.7, unit=GigaPascal, uncertainty=4, source=\"Table 3\"), # uncertainty is 04 but we don't have sig figs support here\n Configuration(name=\"FCC solid solution\", struct=CrysStruct.FCC, description=\"S.G. = 225\", source=\"Figure 3(a): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Si\", struct=CrysStruct.Diamond, description=\"S.G. = 227\", source=\"Figure 3(a): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"V-Mg2Zn11\", description=\"S.G. = 218\", source=\"Figure 3(a): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Al2Cu\", description=\"S.G. = 140\", source=\"Figure 3(a): 'The XRD pattern in Fig. 3(a) also showed the formation of Al2Cu (S.G. = 140), AlxCu2Mg6Si7 (S.G. = 174) and Al9Fe2Si2 phase (S.G. = 14) in Al65Cu5Fe5Mg5Si15Zn5 alloy.'\"),\n Configuration(name=\"AlxCu2Mg6Si7\", description=\"S.G. = 174\", source=\"Figure 3(a): 'The XRD pattern in Fig. 3(a) also showed the formation of Al2Cu (S.G. = 140), AlxCu2Mg6Si7 (S.G. = 174) and Al9Fe2Si2 phase (S.G. = 14) in Al65Cu5Fe5Mg5Si15Zn5 alloy.'\"), # Q-phase\n Configuration(name=\"Al9Fe2Si2\", description=\"S.G. = 14\", source=\"Figure 3(a): 'The XRD pattern in Fig. 3(a) also showed the formation of Al2Cu (S.G. = 140), AlxCu2Mg6Si7 (S.G. = 174) and Al9Fe2Si2 phase (S.G. = 14) in Al65Cu5Fe5Mg5Si15Zn5 alloy.'\"),\n ],\n )", + "start_line": 67, + "end_line": 86 }, { "id": "doi_10_1038__s41598_019_43329_w/exp:0/material:1", @@ -2133,7 +2406,10 @@ "description": "S.G. = 225", "source": "Figure 3(b): 'Figure 3(b) detailed the XRD pattern of Al65Cu5Mg5Ni5Si15Zn5 alloy. The pattern also showed the formation of Al3Ni (S.G. = 62), Al3Ni2 (S.G. = 164) and Mg2Si (S.G. = 225).'" } - ] + ], + "source_code": "Material(\n process=\"elements->melting[Temp=785]->casting[Temp=759]\",\n name=\"MEA-2\",\n measurements=[\n CompMeasurement(\"Al65Cu5Mg5Ni5Si15Zn5\", method=MeasurementMethod.Balance),\n CompMeasurement({\"Al\": 64, \"Mg\": 7, \"Si\": 12, \"Zn\": 5, \"Cu\": 4, \"Ni\": 5, \"O\": 3}, method=MeasurementMethod.EDS, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.density, value=3.15, unit=gram_per_cm3, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=534, unit=MegaPascal, uncertainty=4, source=\"Table 3\"), # uncertainty is 04 but we don't have sig figs support here\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=260, unit=HV, uncertainty=32),\n Configuration(name=\"Mg-Si-rich\", measurements=[CompMeasurement({\"Mg\": 54, \"Si\": 28, \"O\": 18}, source=\"Table 2\")]),\n Measurement(kind=AlloyMeasurementKind.ultimate_compressive_strength, value=574, unit=MegaPascal, uncertainty=32, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(AlloyMeasurementKind.fracture_strain_compression, \"plastic strain\"), value=1, unit=percent, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=107.8, unit=GigaPascal, uncertainty=17, source=\"Table 3\"),\n Configuration(name=\"FCC solid solution\", struct=CrysStruct.FCC, description=\"S.G. = 225\", source=\"Figure 3(b): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Si\", struct=CrysStruct.Diamond, description=\"S.G. = 227\", source=\"Figure 3(b): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"V-Mg2Zn11\", description=\"S.G. = 218\", source=\"Figure 3(b): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Al3Ni\", description=\"S.G. = 62\", source=\"Figure 3(b): 'Figure 3(b) detailed the XRD pattern of Al65Cu5Mg5Ni5Si15Zn5 alloy. The pattern also showed the formation of Al3Ni (S.G. = 62), Al3Ni2 (S.G. = 164) and Mg2Si (S.G. = 225).'\"),\n Configuration(name=\"Al3Ni2\", description=\"S.G. = 164\", source=\"Figure 3(b): 'Figure 3(b) detailed the XRD pattern of Al65Cu5Mg5Ni5Si15Zn5 alloy. The pattern also showed the formation of Al3Ni (S.G. = 62), Al3Ni2 (S.G. = 164) and Mg2Si (S.G. = 225).'\"),\n Configuration(name=\"Mg2Si\", description=\"S.G. = 225\", source=\"Figure 3(b): 'Figure 3(b) detailed the XRD pattern of Al65Cu5Mg5Ni5Si15Zn5 alloy. The pattern also showed the formation of Al3Ni (S.G. = 62), Al3Ni2 (S.G. = 164) and Mg2Si (S.G. = 225).'\"),\n ],\n )", + "start_line": 87, + "end_line": 107 }, { "id": "doi_10_1038__s41598_019_43329_w/exp:0/material:2", @@ -2243,7 +2519,10 @@ "description": "S.G. = 216", "source": "Figure 3(c): 'The XRD pattern also showed the formation of Mg2Si and Al13Cr4Si4 (S.G. = 216) phases. The other indexed phases showed good agreement with CALPHAD calculations in Fig. 2(c).'" } - ] + ], + "source_code": "Material(\n process=\"elements->melting[Temp=780]->casting[Temp=744]\",\n name=\"MEA-3\",\n measurements=[\n CompMeasurement(\"Al70Cr5Cu5Mg5Si10Zn5\", method=MeasurementMethod.Balance),\n CompMeasurement({\"Al\": 73, \"Mg\": 5, \"Si\": 7, \"Zn\": 6, \"Cu\": 3, \"Cr\": 4, \"O\": 2}, method=MeasurementMethod.EDS, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.density, value=3.06, unit=gram_per_cm3, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=490, unit=MegaPascal, uncertainty=18, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=200, unit=HV, uncertainty=18),\n Configuration(name=\"Mg-Si-rich\", measurements=[CompMeasurement({\"Mg\": 41, \"Si\": 23, \"O\": 24, \"Al\": 12}, source=\"Table 2\")], source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_compressive_strength, value=608, unit=MegaPascal, uncertainty=30, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(AlloyMeasurementKind.fracture_strain_compression, \"plastic strain\"), value=6, unit=percent, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=78.4, unit=GigaPascal, uncertainty=3, source=\"Table 3\"), # uncertainty is 03 but we don't have sig figs support here\n Configuration(name=\"FCC solid solution\", struct=CrysStruct.FCC, description=\"S.G. = 225\", source=\"Figure 3(c): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Si\", struct=CrysStruct.Diamond, description=\"S.G. = 227\", source=\"Figure 3(c): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"V-Mg2Zn11\", description=\"S.G. = 218\", source=\"Figure 3(c): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Mg2Si\", description=\"S.G. = 225\", source=\"Figure 3(c): 'The XRD pattern also showed the formation of Mg2Si and Al13Cr4Si4 (S.G. = 216) phases. The other indexed phases showed good agreement with CALPHAD calculations in Fig. 2(c).'\"),\n Configuration(name=\"Al13Cr4Si4\", description=\"S.G. = 216\", source=\"Figure 3(c): 'The XRD pattern also showed the formation of Mg2Si and Al13Cr4Si4 (S.G. = 216) phases. The other indexed phases showed good agreement with CALPHAD calculations in Fig. 2(c).'\"),\n ],\n )", + "start_line": 108, + "end_line": 127 }, { "id": "doi_10_1038__s41598_019_43329_w/exp:0/material:3", @@ -2352,7 +2631,10 @@ "description": "S.G. = 194", "source": "Figure 3(d): 'Figure 3(d) detailed the XRD pattern of Al70Cu5Mg5Mn5Si10Zn5 alloy. The diagram is very similar to the diagram represented in Fig. 3(c), but Al4MnSi (S.G. = 194) phase was observed instead of Al13Cr4Si4 indexed in Fig. 3(c).'" } - ] + ], + "source_code": "Material(\n process=\"elements->melting[Temp=830]->casting[Temp=750]\",\n name=\"MEA-4\",\n measurements=[\n CompMeasurement(\"Al70Cu5Mg5Mn5Si10Zn5\", method=MeasurementMethod.Balance),\n CompMeasurement({\"Al\": 66, \"Mg\": 6, \"Si\": 11, \"Zn\": 6, \"Cu\": 4, \"Mn\": 4, \"O\": 3}, method=MeasurementMethod.EDS, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.density, value=2.98, unit=gram_per_cm3, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=622, unit=MegaPascal, uncertainty=15, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=264, unit=HV, uncertainty=57),\n Configuration(name=\"Mg-Si-rich\", measurements=[CompMeasurement({\"Mg\": 55, \"Si\": 29, \"O\": 16}, source=\"Table 2\")]),\n Measurement(kind=AlloyMeasurementKind.ultimate_compressive_strength, value=644, unit=MegaPascal, uncertainty=13, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(AlloyMeasurementKind.fracture_strain_compression, \"plastic strain\"), value=2, unit=percent, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=114.1, unit=GigaPascal, uncertainty=2, source=\"Table 3\"), # uncertainty is 02 but we don't have sig figs support here\n Configuration(name=\"FCC solid solution\", struct=CrysStruct.FCC, description=\"S.G. = 225\", source=\"Figure 3(d): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Si\", struct=CrysStruct.Diamond, description=\"S.G. = 227\", source=\"Figure 3(d): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"V-Mg2Zn11\", description=\"S.G. = 218\", source=\"Figure 3(d): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Mg2Si\", description=\"S.G. = 225\", source=\"Figure 3(d): 'Figure 3(d) detailed the XRD pattern of Al70Cu5Mg5Mn5Si10Zn5 alloy. The diagram is very similar to the diagram represented in Fig. 3(c)... In this case, the formation of the Mg2Si phase mentioned above was also observed.'\"),\n Configuration(\n name=\"Al4MnSi\", description=\"S.G. = 194\", source=\"Figure 3(d): 'Figure 3(d) detailed the XRD pattern of Al70Cu5Mg5Mn5Si10Zn5 alloy. The diagram is very similar to the diagram represented in Fig. 3(c), but Al4MnSi (S.G. = 194) phase was observed instead of Al13Cr4Si4 indexed in Fig. 3(c).'\"\n ),\n ],\n )", + "start_line": 128, + "end_line": 149 }, { "id": "doi_10_1038__s41598_019_43329_w/exp:0/material:4", @@ -2461,7 +2743,10 @@ "description": "S.G. = 194", "source": "Figure 3(e): 'Figure 3(e) detailed the XRD pattern of Al70Cu5Mg5Si10Zn5Zr5 alloy. The diagram showed similar diffraction peaks to those observed in Fig. 3(c,d). But, \u03c41-(Al,Zr,Si) (S.G. = 194) phase was indexed instead of Al13Cr4Si4 and Al4MnSi phases.'" } - ] + ], + "source_code": "Material(\n process=\"elements->melting[Temp=850]->casting[Temp=742]\",\n name=\"MEA-5\",\n measurements=[\n CompMeasurement(\"Al70Cu5Mg5Si10Zn5Zr5\", method=MeasurementMethod.Balance),\n CompMeasurement({\"Al\": 66, \"Mg\": 7, \"Si\": 9, \"Zn\": 6, \"Cu\": 7, \"Zr\": 3, \"O\": 2}, method=MeasurementMethod.EDS, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.density, value=3.06, unit=gram_per_cm3, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=565, unit=MegaPascal, uncertainty=79, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=220, unit=HV, uncertainty=37),\n Configuration(name=\"Mg-Si-rich\", measurements=[CompMeasurement({\"Mg\": 55, \"Si\": 30, \"O\": 15}, source=\"Table 2\")]),\n Measurement(kind=AlloyMeasurementKind.ultimate_compressive_strength, value=633, unit=MegaPascal, uncertainty=42, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(AlloyMeasurementKind.fracture_strain_compression, \"plastic strain\"), value=4, unit=percent, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=105.1, unit=GigaPascal, uncertainty=27, source=\"Table 3\"),\n Configuration(name=\"FCC solid solution\", struct=CrysStruct.FCC, description=\"S.G. = 225\", source=\"Figure 3(e): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"Si\", struct=CrysStruct.Diamond, description=\"S.G. = 227\", source=\"Figure 3(e): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(name=\"V-Mg2Zn11\", description=\"S.G. = 218\", source=\"Figure 3(e): 'The XRD patterns in Fig. 3 showed at least the formation of FCC solid solution (Space Group = 225), Si (S.G. = 227) and V-Mg2Zn11 (S.G. = 218) in all the alloys.'\"),\n Configuration(\n name=\"Mg2Si\",\n description=\"S.G. = 225\",\n source=\"Figure 3(e): 'The diagram showed similar diffraction peaks to those observed in Fig. 3(c,d).' Fig. 3(c) text states 'Figure 3(c) detailed the XRD pattern of Al65Cu5Mg5Ni5Si15Zn5 alloy. The XRD pattern also showed the formation of Mg2Si and Al13Cr4Si4 (S.G. = 216) phases.' Fig. 3(d) text states 'In this case, the formation of the Mg2Si phase mentioned above was also observed.'\",\n ),\n Configuration(\n name=\"\u03c41-(Al,Zr,Si)\",\n description=\"S.G. = 194\",\n source=\"Figure 3(e): 'Figure 3(e) detailed the XRD pattern of Al70Cu5Mg5Si10Zn5Zr5 alloy. The diagram showed similar diffraction peaks to those observed in Fig. 3(c,d). But, \u03c41-(Al,Zr,Si) (S.G. = 194) phase was indexed instead of Al13Cr4Si4 and Al4MnSi phases.'\",\n ),\n ],\n )", + "start_line": 150, + "end_line": 177 } ], "edges": [ @@ -2480,7 +2765,14 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "790 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -2497,7 +2789,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.\",\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n source=\"Methods->Materials preparation and table 4 for the actual maximum furnace temperatures\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"casting temp is [Temp]. The melt was poured manually into a steel mould\", source=\"Methods->Materials preparation. The casting temp was from Table 4\"),\n ]", + "start_line": 54, + "end_line": 64 }, { "source": "doi_10_1038__s41598_019_43329_w/exp:0/raw:elements", @@ -2514,7 +2809,14 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "785 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -2531,7 +2833,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.\",\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n source=\"Methods->Materials preparation and table 4 for the actual maximum furnace temperatures\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"casting temp is [Temp]. The melt was poured manually into a steel mould\", source=\"Methods->Materials preparation. The casting temp was from Table 4\"),\n ]", + "start_line": 54, + "end_line": 64 }, { "source": "doi_10_1038__s41598_019_43329_w/exp:0/raw:elements", @@ -2548,7 +2853,14 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "780 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -2565,7 +2877,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.\",\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n source=\"Methods->Materials preparation and table 4 for the actual maximum furnace temperatures\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"casting temp is [Temp]. The melt was poured manually into a steel mould\", source=\"Methods->Materials preparation. The casting temp was from Table 4\"),\n ]", + "start_line": 54, + "end_line": 64 }, { "source": "doi_10_1038__s41598_019_43329_w/exp:0/raw:elements", @@ -2582,7 +2897,14 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "830 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -2599,7 +2921,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.\",\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n source=\"Methods->Materials preparation and table 4 for the actual maximum furnace temperatures\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"casting temp is [Temp]. The melt was poured manually into a steel mould\", source=\"Methods->Materials preparation. The casting temp was from Table 4\"),\n ]", + "start_line": 54, + "end_line": 64 }, { "source": "doi_10_1038__s41598_019_43329_w/exp:0/raw:elements", @@ -2616,7 +2941,14 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "850 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -2633,7 +2965,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.\",\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n source=\"Methods->Materials preparation and table 4 for the actual maximum furnace temperatures\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"casting temp is [Temp]. The melt was poured manually into a steel mould\", source=\"Methods->Materials preparation. The casting temp was from Table 4\"),\n ]", + "start_line": 54, + "end_line": 64 } ], "descriptions": [ @@ -2677,7 +3012,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "Ti and Mn were added as ferroalloys, while Ni and Al were added as pure metals." } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"Ti and Mn were added as ferroalloys, while Ni and Al were added as pure metals.\")", + "start_line": 26, + "end_line": 26 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:0", @@ -2717,7 +3055,10 @@ "unit": "HV", "source": "3.3. Mechanical Properties Evaluation: addition of Ti up to 3.0 wt.% increased significantly the hardness of the alloy from \u223c310 to 500 (Hv)." } - ] + ], + "source_code": "Material(\n # from table 1\n process=\"elements->creation[Thickness=30]\",\n name=\"C1\",\n measurements=[\n CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.1, \"Mn\": 31.1, \"Ni\": 18.1, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0})),\n Configuration(name=\"white phase\", measurements=[Measurement(kind=PhaseMeasurementKind.volume_fraction, value=33.5, unit=percent, source=\"Figure 2 (a)\")]),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=300, unit=HV, source=\"Abstract\"),\n Measurement(\n kind=AlloyMeasurementKind.vickers_hardness,\n value=\"~310\",\n unit=HV,\n source=\"3.3. Mechanical Properties Evaluation: addition of Ti up to 3.0 wt.% increased significantly the hardness of the alloy from \u223c310 to 500 (Hv).\", # I think this is the more accurate value than the abstract. The paper is itself inconsistent\n ),\n ],\n )", + "start_line": 43, + "end_line": 58 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:1", @@ -2730,7 +3071,10 @@ "formula": "Mn0.27474117 Al0.24462945 Fe0.30504181 Si0.02592064 Ni0.14966693", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C1->annealing[Hours=10]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.1, \"Mn\": 31.1, \"Ni\": 18.1, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0}))])", + "start_line": 59, + "end_line": 59 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:2", @@ -2743,7 +3087,10 @@ "formula": "Mn0.27474117 Al0.24462945 Fe0.30504181 Si0.02592064 Ni0.14966693", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C1->annealing[Hours=20]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.1, \"Mn\": 31.1, \"Ni\": 18.1, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0}))])", + "start_line": 60, + "end_line": 60 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:3", @@ -2756,7 +3103,10 @@ "formula": "Mn0.27474117 Al0.24462945 Fe0.30504181 Si0.02592064 Ni0.14966693", "method": "unspecified" } - ] + ], + "source_code": "Material(\n process=\"elements->creation[Thickness=5]\",\n name=\"C1 5mm\",\n measurements=[\n CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.1, \"Mn\": 31.1, \"Ni\": 18.1, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0})),\n ],\n )", + "start_line": 66, + "end_line": 72 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:4", @@ -2769,7 +3119,10 @@ "formula": "Mn0.27474117 Al0.24462945 Fe0.30504181 Si0.02592064 Ni0.14966693", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C1 5mm->annealing[Hours=10]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.1, \"Mn\": 31.1, \"Ni\": 18.1, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0}))])", + "start_line": 73, + "end_line": 73 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:5", @@ -2782,7 +3135,10 @@ "formula": "Mn0.27474117 Al0.24462945 Fe0.30504181 Si0.02592064 Ni0.14966693", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C1 5mm->annealing[Hours=20]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.1, \"Mn\": 31.1, \"Ni\": 18.1, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0}))])", + "start_line": 74, + "end_line": 74 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:6", @@ -2808,7 +3164,10 @@ } ] } - ] + ], + "source_code": "Material(\n # from table 1\n process=\"elements->creation[Thickness=30]\",\n name=\"C2\",\n measurements=[\n CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.6, \"Mn\": 31.3, \"Ni\": 18.3, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0.8})),\n Configuration(name=\"white phase\", measurements=[Measurement(kind=PhaseMeasurementKind.volume_fraction, value=45, unit=percent, source=\"Figure 2 (b)\")]),\n ],\n )", + "start_line": 75, + "end_line": 83 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:7", @@ -2821,7 +3180,10 @@ "formula": "Ti0.00798453 Mn0.27218643 Al0.24080612 Fe0.3045517 Si0.02551552 Ni0.14895571", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C2->annealing[Hours=10]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.6, \"Mn\": 31.3, \"Ni\": 18.3, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0.8}))])", + "start_line": 84, + "end_line": 84 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:8", @@ -2834,7 +3196,10 @@ "formula": "Ti0.00798453 Mn0.27218643 Al0.24080612 Fe0.3045517 Si0.02551552 Ni0.14895571", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C2->annealing[Hours=20]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 35.6, \"Mn\": 31.3, \"Ni\": 18.3, \"Al\": 13.6, \"Si\": 1.5, \"Ti\": 0.8}))])", + "start_line": 85, + "end_line": 85 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:9", @@ -2867,7 +3232,10 @@ "unit": "HV", "source": "3.3. Mechanical Properties Evaluation: addition of Ti up to 3.0 wt.% increased significantly the hardness of the alloy from \u223c310 to 500 (Hv)." } - ] + ], + "source_code": "Material(\n # from table 1\n process=\"elements->creation[Thickness=30]\",\n name=\"C3\",\n measurements=[\n CompMeasurement(Composition.from_weight_dict({\"Fe\": 36.9, \"Mn\": 28.7, \"Ni\": 15.8, \"Al\": 12.6, \"Si\": 2.3, \"Ti\": 3.3})),\n Configuration(name=\"white phase\", measurements=[Measurement(kind=PhaseMeasurementKind.volume_fraction, value=65, unit=percent, source=\"Figure 2 (c)\")]),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=500, unit=HV, source=\"3.3. Mechanical Properties Evaluation: addition of Ti up to 3.0 wt.% increased significantly the hardness of the alloy from \u223c310 to 500 (Hv).\"),\n ],\n )", + "start_line": 86, + "end_line": 95 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:10", @@ -2880,7 +3248,10 @@ "formula": "Ti0.03330196 Mn0.25234849 Al0.22557754 Fe0.31917884 Si0.03955831 Ni0.13003487", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C3->annealing[Hours=10]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 36.9, \"Mn\": 28.7, \"Ni\": 15.8, \"Al\": 12.6, \"Si\": 2.3, \"Ti\": 3.3}))])", + "start_line": 96, + "end_line": 96 }, { "id": "doi_10_1155__2019__2157592/exp:0/material:11", @@ -2893,7 +3264,10 @@ "formula": "Ti0.03330196 Mn0.25234849 Al0.22557754 Fe0.31917884 Si0.03955831 Ni0.13003487", "method": "unspecified" } - ] + ], + "source_code": "Material(process=\"C3->annealing[Hours=20]\", measurements=[CompMeasurement(Composition.from_weight_dict({\"Fe\": 36.9, \"Mn\": 28.7, \"Ni\": 15.8, \"Al\": 12.6, \"Si\": 2.3, \"Ti\": 3.3}))])", + "start_line": 97, + "end_line": 97 } ], "edges": [ @@ -2910,7 +3284,13 @@ "events": [ { "kind": "Induction Melting", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Gravity Casting", @@ -2919,7 +3299,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", + "start_line": 36, + "end_line": 39 }, { "source": "doi_10_1155__2019__2157592/exp:0/material:0", @@ -2936,60 +3319,604 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 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[ + { + "base_name": "annealing", + "variables": { + "Hours": "10" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "10 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:5", + "label": "annealing[Hours=20]", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + 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"doi_10_1155__2019__2157592/exp:0/material:6", + "target": "doi_10_1155__2019__2157592/exp:0/material:5", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:9", + "target": "doi_10_1155__2019__2157592/exp:0/material:5", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", + "target": "doi_10_1155__2019__2157592/exp:0/material:6", + "label": "creation[Thickness=30]", + "process_steps": [ + { + "base_name": "creation", + "variables": { + "Thickness": "30" + }, + "events": [ + { + "kind": "Induction Melting", + "source": "Experimental Work", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] + }, + { + "kind": "Gravity Casting", + "description": "samples were poured in a mold shaped as Y blocks of 30mm thickness.", + "source": "Experimental Work" + } + ] + } + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", + "start_line": 36, + "end_line": 39 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:4", + "source": "doi_10_1155__2019__2157592/exp:0/material:6", + "target": "doi_10_1155__2019__2157592/exp:0/material:7", "label": "annealing[Hours=10]", "process_steps": [ { @@ -3002,61 +3929,97 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:5", - "label": "annealing[Hours=20]", + "source": "doi_10_1155__2019__2157592/exp:0/material:0", + "target": "doi_10_1155__2019__2157592/exp:0/material:7", + "label": "annealing", "process_steps": [ { "base_name": "annealing", "variables": { - "Hours": "20" + "Hours": "10" }, "events": [ { "kind": "Annealing", "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work" + "duration": "10 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", - "target": "doi_10_1155__2019__2157592/exp:0/material:6", - "label": "creation[Thickness=30]", + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:7", + "label": "annealing", "process_steps": [ { - "base_name": "creation", + "base_name": "annealing", "variables": { - "Thickness": "30" + "Hours": "10" }, "events": [ { - "kind": "Induction Melting", - "source": "Experimental Work" - }, - { - "kind": "Gravity Casting", - "description": "samples were poured in a mold shaped as Y blocks of 30mm thickness.", - "source": "Experimental Work" + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "10 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", + "source": "doi_10_1155__2019__2157592/exp:0/material:9", "target": "doi_10_1155__2019__2157592/exp:0/material:7", - "label": "annealing[Hours=10]", + "label": "annealing", "process_steps": [ { "base_name": "annealing", @@ -3068,11 +4031,24 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 }, { "source": "doi_10_1155__2019__2157592/exp:0/material:6", @@ -3089,11 +4065,126 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "20 hour", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:0", + "target": "doi_10_1155__2019__2157592/exp:0/material:8", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:8", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:9", + "target": "doi_10_1155__2019__2157592/exp:0/material:8", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 }, { "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", @@ -3108,7 +4199,13 @@ "events": [ { "kind": "Induction Melting", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Gravity Casting", @@ -3117,7 +4214,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", + "start_line": 36, + "end_line": 39 }, { "source": "doi_10_1155__2019__2157592/exp:0/material:9", @@ -3134,11 +4234,126 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:0", + "target": "doi_10_1155__2019__2157592/exp:0/material:10", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "10" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "10 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:10", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "10" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "10 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:6", + "target": "doi_10_1155__2019__2157592/exp:0/material:10", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "10" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "10 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 }, { "source": "doi_10_1155__2019__2157592/exp:0/material:9", @@ -3155,11 +4370,126 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "20 hour", - "source": "Experimental Work" + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:0", + "target": "doi_10_1155__2019__2157592/exp:0/material:11", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:11", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] + } + ] + } + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 + }, + { + "source": "doi_10_1155__2019__2157592/exp:0/material:6", + "target": "doi_10_1155__2019__2157592/exp:0/material:11", + "label": "annealing", + "process_steps": [ + { + "base_name": "annealing", + "variables": { + "Hours": "20" + }, + "events": [ + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "20 hour", + "source": "Experimental Work", + "inputs": [ + "C1", + "C1", + "C1 5mm", + "C1 5mm", + "C2", + "C2", + "C3", + "C3" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", + "start_line": 40, + "end_line": 40 } ], "descriptions": [ @@ -3177,16 +4507,19 @@ { "nodes": [ { - "id": "doi_10_3390__coatings9010016/exp:0/raw:wc_additions", + "id": "doi_10_3390__coatings9010016/exp:0/raw:Q235 steel substrate", "type": "raw_material", - "label": "wc_additions", - "name": "wc_additions", + "label": "Q235 steel substrate", + "name": "Q235 steel substrate", "materials": { - "wc_additions": { - "kind": "RawMaterialKind.Powder", + "Q235 steel substrate": { + "kind": "RawMaterialKind.Plate", "description": null } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Plate)", + "start_line": 41, + "end_line": 41 }, { "id": "doi_10_3390__coatings9010016/exp:0/raw:elements", @@ -3198,19 +4531,25 @@ "kind": "RawMaterialKind.Powder", "description": "Co, Cr, Fe, and Ni powders with high purity (99.9 wt.%) with powder size <75 \u00b5m" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Powder, description=\"Co, Cr, Fe, and Ni powders with high purity (99.9 wt.%) with powder size <75 \u00b5m\")", + "start_line": 39, + "end_line": 39 }, { - "id": "doi_10_3390__coatings9010016/exp:0/raw:Q235 steel substrate", + "id": "doi_10_3390__coatings9010016/exp:0/raw:wc_additions", "type": "raw_material", - "label": "Q235 steel substrate", - "name": "Q235 steel substrate", + "label": "wc_additions", + "name": "wc_additions", "materials": { - "Q235 steel substrate": { - "kind": "RawMaterialKind.Plate", + "wc_additions": { + "kind": "RawMaterialKind.Powder", "description": null } - } + }, + "source_code": "RawMaterial(kind=normalize(RawMaterialKind.Powder, \"WC particles\"))", + "start_line": 40, + "end_line": 40 }, { "id": "doi_10_3390__coatings9010016/exp:0/material:0", @@ -3282,7 +4621,10 @@ "unit": "micrometer", "source": "the substrate (25.5 \u00b5m)" } - ] + ], + "source_code": "Material(\n name=\"prepared_steel\",\n process=\"Q235 steel substrate->prepare_steel\",\n measurements=[\n # \"the CoCrFeNi HEAC was selected as the reference object tested in the same corrosion conditions.\"\n CompMeasurement(Composition.from_weight_dict({\"C\": 0.15, \"Si\": 0.2, \"Mn\": 0.46, \"S\": 0.022, \"P\": 0.012, \"Fe\": 99.156}), source=\"Table 1\", method=MeasurementMethod.Unspecified), # this is the composition from the supplier so we don't know\n # I considered adding these corrosion measurements to a raw Q235 steel substrate sample, but I believe they performed corrision on the prepared steel.\n # This is because grinding is standard preparation for electrochemical testing. (surface roughness might accelerate corrosion)\n Measurement(kind=normalize(\"corrosion_potential\", \"Ecorr(V vs. Ag/AgCl)\"), value=-1.14, unit=Volt, uncertainty=0.03, source=\"Table 5\"),\n Measurement(kind=normalize(\"pitting_potential\", \"Epit(V vs. Ag/AgCl)\"), value=-0.34, unit=Volt, uncertainty=0.04, source=\"Table 5\"),\n Measurement(kind=normalize(\"passivation_current_density\", \"ipass(A\u00b7cm-2)\"), value=5.43e-4, unit=AmpPerCmSquared, source=\"Table 5\"),\n Measurement(kind=normalize(\"corrosion_current_density\", \"icorr(A\u00b7cm-2)\"), value=5.89e-5, unit=AmpPerCmSquared, source=\"Table 5\"),\n Measurement(kind=normalize(\"corrosion_rate\", \"rcorr(mm/year)\"), value=6.85e-1, unit=MillimeterPerYear, source=\"Table 5\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=160, unit=HV, source=\"the microhardness was more than 3 times larger than the substrate (160 HV)\"),\n Measurement(kind=normalize(\"friction_coefficient\", \"mean friction coefficient\"), value=0.87, unit=dimensionless, source=\"more than 61% lower than that of Q235 substrate (0.87)\"),\n Measurement(kind=normalize(\"wear_groove_depth\", \"wear groove depth\"), value=25.5, unit=Micrometer, source=\"the substrate (25.5 \u00b5m)\"),\n ],\n )", + "start_line": 92, + "end_line": 109 }, { "id": "doi_10_3390__coatings9010016/exp:0/material:1", @@ -3429,7 +4771,10 @@ "unit": "micrometer", "source": "the average thickness values of coatings are of 860 and 900 \u00b5m for 10 and 30 wt.% WC HEACs, respectively" } - ] + ], + "source_code": "Material(\n process=\"prepared_steel->creation\",\n measurements=[\n CompMeasurement(\n composition_with_weight_additions(Composition(\"CoCrFeNi\"), Composition(\"WC\"), 0.1),\n method=MeasurementMethod.Balance,\n ),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=475, unit=HV, source=\"The average microhardness values of CoCrFeNi HEACs with 10 and 30 wt.% WC additions HEACs reached 475 and 531 HV respectively\"),\n Measurement(kind=AlloyMeasurementKind.density, value=7.24, unit=gram_per_cm3, uncertainty=0.02, source=\"Table 4\"),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.574)), struct=CrysStruct.FCC, source=\"Table 2\"),\n # Crystallite sizes (Table 2, XRD Scherrer) and EDS compositions (Table 3, spot analysis) are kept as separate configurations:\n # crystallite size is a bulk-averaged coherent domain size per phase, not the physical size of the grains/regions probed by EDS.\n Configuration(name=\"FCC Phase\", measurements=[Measurement(kind=AlloyMeasurementKind.crystallite_size, value=18.9, unit=Nanometer, source=\"Table 2\", measurement_statistic=MeasurementStatistic.mean)]),\n Configuration(name=\"WC Phase\", measurements=[Measurement(kind=AlloyMeasurementKind.crystallite_size, value=25.3, unit=Nanometer, source=\"In addition, there was no apparent change of D values (25.3 nm) of the WC phase in both coatings.\", measurement_statistic=MeasurementStatistic.mean)]),\n Configuration(name=\"WC Grains (bright)\", measurements=[CompMeasurement({\"Co\": 2.3, \"Cr\": 2.4, \"Fe\": 2.4, \"Ni\": 3.0, \"W\": 45.8, \"C\": 44.1}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Configuration(name=\"FCC Matrix (gray)\", tags={ConfigTag.Matrix}, measurements=[CompMeasurement({\"Co\": 23.2, \"Cr\": 23.9, \"Fe\": 26.9, \"Ni\": 24.6, \"W\": 0.6, \"C\": 0.8}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Measurement(kind=normalize(\"corrosion_potential\", \"Ecorr(V vs. Ag/AgCl)\"), value=-0.99, unit=Volt, uncertainty=0.01, source=\"Table 5\"),\n Measurement(kind=normalize(\"pitting_potential\", \"Epit(V vs. Ag/AgCl)\"), value=0, unit=Volt, uncertainty=0.02, source=\"Table 5\"),\n Measurement(kind=normalize(\"passivation_current_density\", \"ipass(A\u00b7cm-2)\"), value=1.78e-4, unit=AmpPerCmSquared, source=\"Table 5\"),\n Measurement(kind=normalize(\"corrosion_current_density\", \"icorr(A\u00b7cm-2)\"), value=1.22e-5, unit=AmpPerCmSquared, source=\"Table 5\"),\n Measurement(kind=normalize(\"corrosion_rate\", \"rcorr(mm/year)\"), value=1.34e-1, unit=MillimeterPerYear, source=\"Table 5\"),\n Measurement(kind=normalize(\"friction_coefficient\", \"mean friction coefficient\"), value=0.34, unit=dimensionless, source=\"The mean friction coefficients of CoCrFeNi HEACs with 10 and 30 wt.% WC addition were 0.34 and 0.30 respectively\"),\n Measurement(kind=normalize(\"wear_groove_depth\", \"wear groove depth\"), value=17.7, unit=Micrometer, source=\"The values of the wear groove depth for HEACs with 10 and 30 wt.% WC additions were 17.7 and 15.1 \u00b5m respectively\"),\n Measurement(kind=normalize(\"coating_thickness\", \"average coating thickness\"), value=860, unit=Micrometer, source=\"the average thickness values of coatings are of 860 and 900 \u00b5m for 10 and 30 wt.% WC HEACs, respectively\"),\n ],\n )", + "start_line": 110, + "end_line": 135 }, { "id": "doi_10_3390__coatings9010016/exp:0/material:2", @@ -3576,7 +4921,10 @@ "unit": "micrometer", "source": "the average thickness values of coatings are of 860 and 900 \u00b5m for 10 and 30 wt.% WC HEACs, respectively" } - ] + ], + "source_code": "Material(\n process=\"prepared_steel->creation\",\n measurements=[\n CompMeasurement(\n composition_with_weight_additions(Composition(\"CoCrFeNi\"), Composition(\"WC\"), 0.3),\n method=MeasurementMethod.Balance,\n ),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=531, unit=HV, source=\"The average microhardness values of CoCrFeNi HEACs with 10 and 30 wt.% WC additions HEACs reached 475 and 531 HV respectively\"),\n Measurement(kind=AlloyMeasurementKind.density, value=8.39, unit=gram_per_cm3, uncertainty=0.03, source=\"Table 4\"),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.574)), struct=CrysStruct.FCC, source=\"Table 2\"),\n # Crystallite sizes (Table 2, XRD Scherrer) and EDS compositions (Table 3, spot analysis) are kept as separate configurations:\n # crystallite size is a bulk-averaged coherent domain size per phase, not the physical size of the grains/regions probed by EDS.\n Configuration(name=\"FCC Phase\", measurements=[Measurement(kind=AlloyMeasurementKind.crystallite_size, value=18.2, unit=Nanometer, source=\"Table 2\", measurement_statistic=MeasurementStatistic.mean)]),\n Configuration(name=\"WC Phase\", measurements=[Measurement(kind=AlloyMeasurementKind.crystallite_size, value=25.3, unit=Nanometer, source=\"In addition, there was no apparent change of D values (25.3 nm) of the WC phase in both coatings.\", measurement_statistic=MeasurementStatistic.mean)]),\n Configuration(name=\"WC Grains (bright)\", measurements=[CompMeasurement({\"Co\": 1.2, \"Cr\": 2.4, \"Fe\": 1.2, \"Ni\": 0.6, \"W\": 48.3, \"C\": 46.3}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Configuration(name=\"FCC Matrix (gray)\", tags={ConfigTag.Matrix}, measurements=[CompMeasurement({\"Co\": 23.5, \"Cr\": 25.9, \"Fe\": 25.2, \"Ni\": 24.3, \"W\": 0.4, \"C\": 0.7}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Measurement(kind=normalize(\"corrosion_potential\", \"Ecorr(V vs. Ag/AgCl)\"), value=-0.95, unit=Volt, uncertainty=0.02, source=\"Table 5\"),\n Measurement(kind=normalize(\"pitting_potential\", \"Epit(V vs. Ag/AgCl)\"), value=-0.03, unit=Volt, uncertainty=0.03, source=\"Table 5\"),\n Measurement(kind=normalize(\"passivation_current_density\", \"ipass(A\u00b7cm-2)\"), value=3.89e-4, unit=AmpPerCmSquared, source=\"Table 5\"),\n Measurement(kind=normalize(\"corrosion_current_density\", \"icorr(A\u00b7cm-2)\"), value=2.60e-5, unit=AmpPerCmSquared, source=\"Table 5\"),\n Measurement(kind=normalize(\"corrosion_rate\", \"rcorr(mm/year)\"), value=2.34e-1, unit=MillimeterPerYear, source=\"Table 5\"),\n Measurement(kind=normalize(\"friction_coefficient\", \"mean friction coefficient\"), value=0.30, unit=dimensionless, source=\"The mean friction coefficients of CoCrFeNi HEACs with 10 and 30 wt.% WC addition were 0.34 and 0.30 respectively\"),\n Measurement(kind=normalize(\"wear_groove_depth\", \"wear groove depth\"), value=15.1, unit=Micrometer, source=\"The values of the wear groove depth for HEACs with 10 and 30 wt.% WC additions were 17.7 and 15.1 \u00b5m respectively\"),\n Measurement(kind=normalize(\"coating_thickness\", \"average coating thickness\"), value=900, unit=Micrometer, source=\"the average thickness values of coatings are of 860 and 900 \u00b5m for 10 and 30 wt.% WC HEACs, respectively\"),\n ],\n )", + "start_line": 136, + "end_line": 161 } ], "edges": [ @@ -3591,7 +4939,10 @@ "events": [ { "kind": "Grinding", - "description": "400 mesh sandpaper" + "description": "400 mesh sandpaper", + "inputs": [ + "Q235 steel substrate" + ] }, { "kind": "Grinding", @@ -3610,7 +4961,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.Grinding, description=\"400 mesh sandpaper\"),\n ProcessEvent(kind=ProcessKind.Grinding, description=\"800 mesh sandpaper\"),\n ProcessEvent(kind=ProcessKind.Grinding, description=\"1200 mesh sandpaper\"),\n ProcessEvent(kind=ProcessKind.Degreased, description=\"using absolute ethyl alcohol\"),\n ProcessEvent(kind=ProcessKind.AirDrying),\n ]", + "start_line": 44, + "end_line": 50 }, { "source": "doi_10_3390__coatings9010016/exp:0/material:0", @@ -3625,7 +4979,11 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure" + "source": "Experimental Procedure", + "inputs": [ + "prepared_steel", + "prepared_steel" + ] }, { "kind": "Mixing", @@ -3643,7 +5001,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n description=\"mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1\",\n source=\"Experimental Procedure\",\n duration=Quantity(value=200, unit=Hour),\n ),\n ProcessEvent(\n kind=ProcessKind.Mixing,\n inputs=[\"elements\", \"wc_additions\"],\n description=\"elements and wc_additions are mixed.\",\n source=\"Then, the 200 h milled CoCrFeNi HEA powders and different weight ratios of WC particles (10 and 30 wt.%) were uniformly mixed together for the subsequent VHPS process.\",\n ),\n ProcessEvent(kind=normalize(ProcessKind.HotPressingSintering, \"Vacuum Hot Pressing Sintering\"), description=\"35 mm inner-diameter graphite die at 950\u25e6C for 30 min under a constant axial pressure of 30 MPa.\", source=\"Experimental Procedure\"),\n ]", + "start_line": 51, + "end_line": 65 }, { "source": "doi_10_3390__coatings9010016/exp:0/raw:elements", @@ -3658,7 +5019,11 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure" + "source": "Experimental Procedure", + "inputs": [ + "prepared_steel", + "prepared_steel" + ] }, { "kind": "Mixing", @@ -3676,7 +5041,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n description=\"mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1\",\n source=\"Experimental Procedure\",\n duration=Quantity(value=200, unit=Hour),\n ),\n ProcessEvent(\n kind=ProcessKind.Mixing,\n inputs=[\"elements\", \"wc_additions\"],\n description=\"elements and wc_additions are mixed.\",\n source=\"Then, the 200 h milled CoCrFeNi HEA powders and different weight ratios of WC particles (10 and 30 wt.%) were uniformly mixed together for the subsequent VHPS process.\",\n ),\n ProcessEvent(kind=normalize(ProcessKind.HotPressingSintering, \"Vacuum Hot Pressing Sintering\"), description=\"35 mm inner-diameter graphite die at 950\u25e6C for 30 min under a constant axial pressure of 30 MPa.\", source=\"Experimental Procedure\"),\n ]", + "start_line": 51, + "end_line": 65 }, { "source": "doi_10_3390__coatings9010016/exp:0/raw:wc_additions", @@ -3691,7 +5059,11 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure" + "source": "Experimental Procedure", + "inputs": [ + "prepared_steel", + "prepared_steel" + ] }, { "kind": "Mixing", @@ -3709,7 +5081,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n description=\"mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1\",\n source=\"Experimental Procedure\",\n duration=Quantity(value=200, unit=Hour),\n ),\n ProcessEvent(\n kind=ProcessKind.Mixing,\n inputs=[\"elements\", \"wc_additions\"],\n description=\"elements and wc_additions are mixed.\",\n source=\"Then, the 200 h milled CoCrFeNi HEA powders and different weight ratios of WC particles (10 and 30 wt.%) were uniformly mixed together for the subsequent VHPS process.\",\n ),\n ProcessEvent(kind=normalize(ProcessKind.HotPressingSintering, \"Vacuum Hot Pressing Sintering\"), description=\"35 mm inner-diameter graphite die at 950\u25e6C for 30 min under a constant axial pressure of 30 MPa.\", source=\"Experimental Procedure\"),\n ]", + "start_line": 51, + "end_line": 65 }, { "source": "doi_10_3390__coatings9010016/exp:0/material:0", @@ -3724,7 +5099,11 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure" + "source": "Experimental Procedure", + "inputs": [ + "prepared_steel", + "prepared_steel" + ] }, { "kind": "Mixing", @@ -3742,7 +5121,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n description=\"mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1\",\n source=\"Experimental Procedure\",\n duration=Quantity(value=200, unit=Hour),\n ),\n ProcessEvent(\n kind=ProcessKind.Mixing,\n inputs=[\"elements\", \"wc_additions\"],\n description=\"elements and wc_additions are mixed.\",\n source=\"Then, the 200 h milled CoCrFeNi HEA powders and different weight ratios of WC particles (10 and 30 wt.%) were uniformly mixed together for the subsequent VHPS process.\",\n ),\n ProcessEvent(kind=normalize(ProcessKind.HotPressingSintering, \"Vacuum Hot Pressing Sintering\"), description=\"35 mm inner-diameter graphite die at 950\u25e6C for 30 min under a constant axial pressure of 30 MPa.\", source=\"Experimental Procedure\"),\n ]", + "start_line": 51, + "end_line": 65 }, { "source": "doi_10_3390__coatings9010016/exp:0/raw:elements", @@ -3757,7 +5139,11 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure" + "source": "Experimental Procedure", + "inputs": [ + "prepared_steel", + "prepared_steel" + ] }, { "kind": "Mixing", @@ -3775,7 +5161,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n description=\"mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1\",\n source=\"Experimental Procedure\",\n duration=Quantity(value=200, unit=Hour),\n ),\n ProcessEvent(\n kind=ProcessKind.Mixing,\n inputs=[\"elements\", \"wc_additions\"],\n description=\"elements and wc_additions are mixed.\",\n source=\"Then, the 200 h milled CoCrFeNi HEA powders and different weight ratios of WC particles (10 and 30 wt.%) were uniformly mixed together for the subsequent VHPS process.\",\n ),\n ProcessEvent(kind=normalize(ProcessKind.HotPressingSintering, \"Vacuum Hot Pressing Sintering\"), description=\"35 mm inner-diameter graphite die at 950\u25e6C for 30 min under a constant axial pressure of 30 MPa.\", source=\"Experimental Procedure\"),\n ]", + "start_line": 51, + "end_line": 65 }, { "source": "doi_10_3390__coatings9010016/exp:0/raw:wc_additions", @@ -3790,7 +5179,11 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure" + "source": "Experimental Procedure", + "inputs": [ + "prepared_steel", + "prepared_steel" + ] }, { "kind": "Mixing", @@ -3808,7 +5201,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n description=\"mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1\",\n source=\"Experimental Procedure\",\n duration=Quantity(value=200, unit=Hour),\n ),\n ProcessEvent(\n kind=ProcessKind.Mixing,\n inputs=[\"elements\", \"wc_additions\"],\n description=\"elements and wc_additions are mixed.\",\n source=\"Then, the 200 h milled CoCrFeNi HEA powders and different weight ratios of WC particles (10 and 30 wt.%) were uniformly mixed together for the subsequent VHPS process.\",\n ),\n ProcessEvent(kind=normalize(ProcessKind.HotPressingSintering, \"Vacuum Hot Pressing Sintering\"), description=\"35 mm inner-diameter graphite die at 950\u25e6C for 30 min under a constant axial pressure of 30 MPa.\", source=\"Experimental Procedure\"),\n ]", + "start_line": 51, + "end_line": 65 } ], "descriptions": [ @@ -3841,7 +5237,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "with > 99.5 weight percent (wt.%) purity" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"with > 99.5 weight percent (wt.%) purity\")", + "start_line": 35, + "end_line": 35 }, { "id": "doi_10_3390__e16020870/exp:0/material:0", @@ -3884,7 +5283,10 @@ "source": "Table 3", "temperature": "~23 degree_Celsius" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al0NbTiMoV\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.211)), struct=CrysStruct.BCC, source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1200, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=25.62, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=440.7, unit=HV, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n ],\n )", + "start_line": 53, + "end_line": 61 }, { "id": "doi_10_3390__e16020870/exp:0/material:1", @@ -3957,7 +5359,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al0.25NbTiMoV\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.206)), struct=CrysStruct.BCC, source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1250, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=12.91, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=460.1, unit=HV, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Configuration(\n name=\"DR (Dendrite) - white\",\n tags={ConfigTag.Dendrite},\n measurements=[\n CompMeasurement(\n {\"Al\": 5.4, \"Ti\": 22.0, \"V\": 22.1, \"Nb\": 25.5, \"Mo\": 25.0},\n method=MeasurementMethod.EDS,\n source=\"Table 1. We know it's EDS because: The energy dispersive X-ray spectrometry (EDS) phase composition results are given in Table 1.\",\n )\n ],\n ),\n Configuration(name=\"ID (Interdendrite) - grey\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Al\": 6.5, \"Ti\": 24.6, \"V\": 24.9, \"Nb\": 23.6, \"Mo\": 20.4}, method=MeasurementMethod.EDS, source=\"Table 1.\")]),\n ],\n )", + "start_line": 62, + "end_line": 82 }, { "id": "doi_10_3390__e16020870/exp:0/material:2", @@ -4045,7 +5450,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al0.5NbTiMoV\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.203)), struct=CrysStruct.BCC, source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1625, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=11.25, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=486.5, unit=HV, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Configuration(name=\"DR (Dendrite) - white\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Al\": 9.8, \"Ti\": 19.9, \"V\": 20.4, \"Nb\": 24.3, \"Mo\": 25.6}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"ID (Interdendrite) - grey\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Al\": 14.6, \"Ti\": 25.3, \"V\": 24.1, \"Nb\": 21.0, \"Mo\": 15.0}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"ID (Interdendrite) - black\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Al\": 10.8, \"Ti\": 35.7, \"V\": 20.9, \"Nb\": 18.9, \"Mo\": 13.7}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n ],\n )", + "start_line": 83, + "end_line": 94 }, { "id": "doi_10_3390__e16020870/exp:0/material:3", @@ -4118,7 +5526,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al0.75NbTiMoV\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.191)), struct=CrysStruct.BCC, source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1260, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=7.5, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=516.6, unit=HV, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Configuration(name=\"DR (Dendrite) - white\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Al\": 14.2, \"Ti\": 20.7, \"V\": 20.5, \"Nb\": 22.5, \"Mo\": 22.2}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"ID (Interdendrite) - grey\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Al\": 15.0, \"Ti\": 22.3, \"V\": 21.4, \"Nb\": 21.6, \"Mo\": 19.7}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n ],\n )", + "start_line": 95, + "end_line": 105 }, { "id": "doi_10_3390__e16020870/exp:0/material:4", @@ -4191,7 +5602,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"AlNbTiMoV\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.201)), struct=CrysStruct.BCC, source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1375, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=2.5, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=536.6, unit=HV, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Configuration(name=\"DR (Dendrite) - white\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Al\": 17.6, \"Ti\": 16.9, \"V\": 19.0, \"Nb\": 21.9, \"Mo\": 24.6}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"ID (Interdendrite) - grey\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Al\": 23.7, \"Ti\": 21.5, \"V\": 20.7, \"Nb\": 20.0, \"Mo\": 14.1}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n ],\n )", + "start_line": 106, + "end_line": 116 }, { "id": "doi_10_3390__e16020870/exp:0/material:5", @@ -4264,7 +5678,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al1.5NbTiMoV\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.186)), struct=CrysStruct.BCC, description=\"also contains an unknown ordered phase\", source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=500, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=1.3, unit=percent, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=556.4, unit=HV, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Configuration(name=\"DR (Dendrite) - white\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Al\": 27.7, \"Ti\": 16.0, \"V\": 17.8, \"Nb\": 18.2, \"Mo\": 20.4}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"ID (Interdendrite) - grey\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Al\": 32.8, \"Ti\": 19.2, \"V\": 17.0, \"Nb\": 18.0, \"Mo\": 13.0}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n ],\n )", + "start_line": 117, + "end_line": 127 } ], "edges": [ @@ -4280,7 +5697,15 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -4293,7 +5718,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen\",\n source=\"Experimental Procedures. The abstract says that it's VacuumArcMelting\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"The microstructures and properties of the alloys were investigated in the as-cast state.\",\n ),\n ProcessEvent(\n kind=ProcessKind.Cut,\n description=\"The prepared alloy buttons with about 11 mm in thickness and 30 mm in diameter were then cut into various shapes to study their microstructures and compressive properties.\",\n source=\"Experimental Procedures\",\n ),\n ]", + "start_line": 36, + "end_line": 51 }, { "source": "doi_10_3390__e16020870/exp:0/raw:elements", @@ -4307,7 +5735,15 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -4320,7 +5756,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen\",\n source=\"Experimental Procedures. The abstract says that it's VacuumArcMelting\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"The microstructures and properties of the alloys were investigated in the as-cast state.\",\n ),\n ProcessEvent(\n kind=ProcessKind.Cut,\n description=\"The prepared alloy buttons with about 11 mm in thickness and 30 mm in diameter were then cut into various shapes to study their microstructures and compressive properties.\",\n source=\"Experimental Procedures\",\n ),\n ]", + "start_line": 36, + "end_line": 51 }, { "source": "doi_10_3390__e16020870/exp:0/raw:elements", @@ -4334,7 +5773,15 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -4347,7 +5794,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen\",\n source=\"Experimental Procedures. The abstract says that it's VacuumArcMelting\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"The microstructures and properties of the alloys were investigated in the as-cast state.\",\n ),\n ProcessEvent(\n kind=ProcessKind.Cut,\n description=\"The prepared alloy buttons with about 11 mm in thickness and 30 mm in diameter were then cut into various shapes to study their microstructures and compressive properties.\",\n source=\"Experimental Procedures\",\n ),\n ]", + "start_line": 36, + "end_line": 51 }, { "source": "doi_10_3390__e16020870/exp:0/raw:elements", @@ -4361,7 +5811,15 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -4374,7 +5832,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen\",\n source=\"Experimental Procedures. The abstract says that it's VacuumArcMelting\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"The microstructures and properties of the alloys were investigated in the as-cast state.\",\n ),\n ProcessEvent(\n kind=ProcessKind.Cut,\n description=\"The prepared alloy buttons with about 11 mm in thickness and 30 mm in diameter were then cut into various shapes to study their microstructures and compressive properties.\",\n source=\"Experimental Procedures\",\n ),\n ]", + "start_line": 36, + "end_line": 51 }, { "source": "doi_10_3390__e16020870/exp:0/raw:elements", @@ -4388,7 +5849,15 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -4401,7 +5870,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen\",\n source=\"Experimental Procedures. The abstract says that it's VacuumArcMelting\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"The microstructures and properties of the alloys were investigated in the as-cast state.\",\n ),\n ProcessEvent(\n kind=ProcessKind.Cut,\n description=\"The prepared alloy buttons with about 11 mm in thickness and 30 mm in diameter were then cut into various shapes to study their microstructures and compressive properties.\",\n source=\"Experimental Procedures\",\n ),\n ]", + "start_line": 36, + "end_line": 51 }, { "source": "doi_10_3390__e16020870/exp:0/raw:elements", @@ -4415,7 +5887,15 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -4428,7 +5908,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen\",\n source=\"Experimental Procedures. The abstract says that it's VacuumArcMelting\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n source=\"The microstructures and properties of the alloys were investigated in the as-cast state.\",\n ),\n ProcessEvent(\n kind=ProcessKind.Cut,\n description=\"The prepared alloy buttons with about 11 mm in thickness and 30 mm in diameter were then cut into various shapes to study their microstructures and compressive properties.\",\n source=\"Experimental Procedures\",\n ),\n ]", + "start_line": 36, + "end_line": 51 } ], "descriptions": [ @@ -4456,7 +5939,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "with >99.9 wt.% purity" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"with >99.9 wt.% purity\")", + "start_line": 29, + "end_line": 29 }, { "id": "doi_10_3390__e18050189/exp:0/material:0", @@ -4543,7 +6029,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"MoNbTaV\", method=MeasurementMethod.Balance),\n CompMeasurement({\"Mo\": 24.9, \"Nb\": 25.8, \"Ta\": 26.6, \"V\": 22.7}, method=MeasurementMethod.EDS, source=\"Table 2\"),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.208)), struct=CrysStruct.BCC, source=\"The XRD peaks of the alloy are indexed as a single BCC phase. The experimental lattice parameter is mentioned in Table 1.\"),\n Measurement(\n kind=normalize(val=AlloyMeasurementKind.yield_strength_compression, val_in_paper=\"yield strength\"),\n value=1525,\n unit=MegaPascal,\n temperature=Quantity(value=23, unit=Celsius),\n description=\"sigma_{0.2}\",\n source=\"compression because of: Cylindrical specimens for compression testing were electric-discharged machined from the as-cast ingot.\",\n ),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=\"~21\", unit=percent, temperature=Quantity(value=23, unit=Celsius), source=\"The alloy exhibits about 21% compression strain before fracture\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=4947, unit=MegaPascal, temperature=Quantity(value=23, unit=Celsius)),\n Measurement(\n # this is ultimate compressive strength rather than fracture_strength_compression because of the word \"maximum\"\n kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"maximum compressive fracture strength\"),\n value=2.4,\n unit=GigaPascal,\n temperature=Quantity(value=23, unit=Celsius),\n source=\"the maximum compressive fracture strength is 2.4 GPa\",\n ),\n Configuration(name=\"dendrite (C_{dr})\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Mo\": 27.6, \"Nb\": 25.0, \"Ta\": 31.5, \"V\": 15.9}, method=MeasurementMethod.EDS, source=\"Table 2\")]),\n Configuration(name=\"interdendrite (C_{idr})\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Mo\": 19.6, \"Nb\": 27.5, \"Ta\": 19.0, \"V\": 33.9}, method=MeasurementMethod.EDS, source=\"Table 2\")]),\n ],\n )", + "start_line": 49, + "end_line": 75 } ], "edges": [ @@ -4559,7 +6048,10 @@ { "kind": "Arc Melting", "description": "Vacuum arc melting on a water-cooled copper hearth in a Ti-gettered, high-purity argon atmosphere. To achieve a homogeneous distribution of elements, the ingot was remelted at least seven times. Between melts, the ingot was flipped in an attempt to better mix the constituent elements. The ingot was about 35 mm in diameter and 15 mm in height.", - "source": "Computational Methodologies and Experimental Procedures" + "source": "Computational Methodologies and Experimental Procedures", + "inputs": [ + "elements" + ] }, { "kind": "As Cast", @@ -4568,7 +6060,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Vacuum arc melting on a water-cooled copper hearth in a Ti-gettered, high-purity argon atmosphere. To achieve a homogeneous distribution of elements, the ingot was remelted at least seven times. Between melts, the ingot was flipped in an attempt to better mix the constituent elements. The ingot was about 35 mm in diameter and 15 mm in height.\",\n source=\"Computational Methodologies and Experimental Procedures\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, description=\"Final as-cast ingot size \u2248 35 mm diameter \u00d7 15 mm height.\", source=\"Computational Methodologies and Experimental Procedures\"),\n ]", + "start_line": 40, + "end_line": 47 } ], "descriptions": [ @@ -4616,7 +6111,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "Raw elements: Hf, Mo, Nb, Ta, and Zr was 99.9 wt.% purity. Ti was 99.99 wt.% purity." } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"Raw elements: Hf, Mo, Nb, Ta, and Zr was 99.9 wt.% purity. Ti was 99.99 wt.% purity.\")", + "start_line": 25, + "end_line": 25 }, { "id": "doi_10_3390__e21010015/exp:0/material:0", @@ -4721,7 +6219,10 @@ "source": "Table 4", "temperature": "1200 degree_Celsius" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfMoNbTaTiZr\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(Lattice.cubic(3.345)),\n struct=CrysStruct.BCC,\n source='Table 2. It is BCC because of \"The main phase of the Hf-Mo-Nb-Ta-Ti-Zr alloy series is a BCC disordered solid solution.',\n ),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"ultimate strength\"), value=1828, unit=MegaPascal, description=\"at 11% strain\", temperature=ROOM_TEMPERATURE),\n Configuration(name=\"dendrite (DR)\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Hf\": 14.3, \"Mo\": 18.4, \"Nb\": 19.5, \"Ta\": 24.4, \"Ti\": 12.4, \"Zr\": 10.8}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"interdendritic (ID)\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Hf\": 21.1, \"Mo\": 13.6, \"Nb\": 12.3, \"Ta\": 9.9, \"Ti\": 18.3, \"Zr\": 24.7}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1512, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=12, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1489, unit=MegaPascal, temperature=Quantity(800, Celsius), description=\"at 19% strain\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1007, unit=MegaPascal, temperature=Quantity(800, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=814, unit=MegaPascal, temperature=Quantity(1000, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=556, unit=MegaPascal, temperature=Quantity(1200, Celsius), source=\"Table 4\"),\n ],\n # The compression tests for HfMoNbTaTiZr alloy were also\n # conducted at 800 \u00b0C, 1000 \u00b0C, and 1200 \u00b0C, respectively. At 800 \u00b0C, the yield strength of\n # HfMoNbTaTiZr alloy was 1007 MPa and ultimate strength was 1489 MPa when the strain was 19%,\n # which shows obvious work hardening. At 1000 \u00b0C and 1200 \u00b0C, the results of yield strength were 814\n # obvious work hardening. At 1000 \u00b0C and 1200 \u00b0C, the results of yield strength were 814 MPa and\n # 556 MPa, respectively, but the strength kept decreasing from the yield point to the end of the test,\n # showing the work softening behavior. No crack was observed at 1000 \u00b0C and 1200 \u00b0C.\n )", + "start_line": 55, + "end_line": 80 }, { "id": "doi_10_3390__e21010015/exp:0/material:1", @@ -4770,7 +6271,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfNbTaTiZr\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.400)), struct=CrysStruct.BCC, source='Table 2. It is BCC because of \"The main phase of the Hf-Mo-Nb-Ta-Ti-Zr alloy series is a BCC disordered solid solution.'),\n Configuration(name=\"dendrite (DR)\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Hf\": 18.5, \"Nb\": 22.4, \"Ta\": 27.4, \"Ti\": 18.2, \"Zr\": 13.5}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"interdendritic (ID)\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Hf\": 22.6, \"Nb\": 17.5, \"Ta\": 12.8, \"Ti\": 20.2, \"Zr\": 26.9}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n # these measurements are from citation [25](the authors didn't make it)\n # Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=929, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n # Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=\">50\", unit=percent, source=\"Table 3\"),\n # Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=535, unit=MegaPascal, temperature=Quantity(800, Celsius), source=\"Table 4\"),\n # Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=295, unit=MegaPascal, temperature=Quantity(1000, Celsius), source=\"Table 4\"),\n # Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=92, unit=MegaPascal, temperature=Quantity(1200, Celsius), source=\"Table 4\"),\n ],\n )", + "start_line": 81, + "end_line": 94 }, { "id": "doi_10_3390__e21010015/exp:0/material:2", @@ -4875,7 +6379,10 @@ "source": "Table 4", "temperature": "1200 degree_Celsius" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfMoTaTiZr\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(lattice=LatticeMeasurement(Lattice.cubic(3.364)), struct=CrysStruct.BCC, source=\"Lattice parameter is from Table 2\"),\n Configuration(name=\"dendrite (DR)\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Hf\": 20.6, \"Mo\": 21.4, \"Ta\": 23.9, \"Ti\": 18.3, \"Zr\": 15.7}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"interdendritic (ID)\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Hf\": 24.4, \"Mo\": 16.2, \"Ta\": 11.0, \"Ti\": 21.2, \"Zr\": 27.1}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1600, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1743, unit=MegaPascal, description=\"at 3% strain\", temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1446, unit=MegaPascal, description=\"at 23% strain\", temperature=Quantity(800, Celsius)),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=4, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1045, unit=MegaPascal, temperature=Quantity(800, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=855, unit=MegaPascal, temperature=Quantity(1000, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=404, unit=MegaPascal, temperature=Quantity(1200, Celsius), source=\"Table 4\"),\n ],\n )", + "start_line": 95, + "end_line": 109 }, { "id": "doi_10_3390__e21010015/exp:0/material:3", @@ -4962,7 +6469,10 @@ "source": "Table 4", "temperature": "1200 degree_Celsius" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfMoNbTiZr\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.369)),\n struct=CrysStruct.BCC,\n source='Table 2. It is BCC because of \"The main phase of the Hf-Mo-Nb-Ta-Ti-Zr alloy series is a BCC disordered solid solution.',\n ),\n Configuration(name=\"Overall\", measurements=[CompMeasurement({\"Hf\": 20.8, \"Mo\": 20.6, \"Nb\": 19.7, \"Ti\": 19.2, \"Zr\": 19.7}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1351, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=20, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1698, unit=MegaPascal, description=\"at 17% strain\", temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1244, unit=MegaPascal, description=\"at 18% strain\", temperature=Quantity(800, Celsius)),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=829, unit=MegaPascal, temperature=Quantity(800, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=721, unit=MegaPascal, temperature=Quantity(1000, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=301, unit=MegaPascal, temperature=Quantity(1200, Celsius), source=\"Table 4\"),\n ],\n )", + "start_line": 110, + "end_line": 127 }, { "id": "doi_10_3390__e21010015/exp:0/material:4", @@ -5083,7 +6593,10 @@ "source": "Table 4", "temperature": "1400 degree_Celsius" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfMoNbTaZr\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.347)),\n struct=CrysStruct.BCC,\n source='Table 2. It is BCC because of \"The main phase of the Hf-Mo-Nb-Ta-Ti-Zr alloy series is a BCC disordered solid solution.',\n ),\n Configuration(name=\"dendrite (DR)\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Hf\": 18.5, \"Mo\": 20.8, \"Nb\": 21.7, \"Ta\": 24.5, \"Zr\": 14.5}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"interdendritic (ID)\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Hf\": 27.0, \"Mo\": 15.6, \"Nb\": 13.5, \"Ta\": 9.9, \"Zr\": 34.0}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1524, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=16, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1963, unit=MegaPascal, description=\"at 13.5% strain\", temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1991, unit=MegaPascal, description=\"at 24% strain\", temperature=Quantity(800, Celsius)),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1336, unit=MegaPascal, description=\"at 11% strain\", temperature=Quantity(1000, Celsius)),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1005, unit=MegaPascal, temperature=Quantity(800, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=927, unit=MegaPascal, temperature=Quantity(1000, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=694, unit=MegaPascal, temperature=Quantity(1200, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=278, unit=MegaPascal, temperature=Quantity(1400, Celsius), source=\"Table 4\"),\n ],\n )", + "start_line": 128, + "end_line": 148 }, { "id": "doi_10_3390__e21010015/exp:0/material:5", @@ -5204,7 +6717,10 @@ "source": "Table 4", "temperature": "1400 degree_Celsius" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfMoNbTaTi\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.305)),\n struct=CrysStruct.BCC,\n source='Table 2. It is BCC because of \"The main phase of the Hf-Mo-Nb-Ta-Ti-Zr alloy series is a BCC disordered solid solution.',\n ),\n Configuration(name=\"dendrite (DR)\", tags={ConfigTag.Dendrite}, measurements=[CompMeasurement({\"Hf\": 15.5, \"Mo\": 22.7, \"Nb\": 19.5, \"Ta\": 25.7, \"Ti\": 16.6}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Configuration(name=\"interdendritic (ID)\", tags={ConfigTag.Interdendritic}, measurements=[CompMeasurement({\"Hf\": 30.7, \"Mo\": 16.9, \"Nb\": 17.6, \"Ta\": 10.7, \"Ti\": 24.1}, method=MeasurementMethod.EDS, source=\"Table 1\")]),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=1369, unit=MegaPascal, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strain_compression, value=27, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=2094, unit=MegaPascal, description=\"at 25% strain\", temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1998, unit=MegaPascal, description=\"at 29% strain\", temperature=Quantity(800, Celsius)),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Ultimate Strength\"), value=1454, unit=MegaPascal, description=\"at 27.5% strain\", temperature=Quantity(1000, Celsius)),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=822, unit=MegaPascal, temperature=Quantity(800, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=778, unit=MegaPascal, temperature=Quantity(1000, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=699, unit=MegaPascal, temperature=Quantity(1200, Celsius), source=\"Table 4\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=367, unit=MegaPascal, temperature=Quantity(1400, Celsius), source=\"Table 4\"),\n ],\n )", + "start_line": 149, + "end_line": 169 } ], "edges": [ @@ -5220,7 +6736,15 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -5228,7 +6752,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, source=\"2. Materials and Methods: The stacked metals were melted together in a water-cool copper mold and solidified therein.\"),\n ]", + "start_line": 46, + "end_line": 53 }, { "source": "doi_10_3390__e21010015/exp:0/raw:elements", @@ -5242,7 +6769,15 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -5250,7 +6785,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, source=\"2. Materials and Methods: The stacked metals were melted together in a water-cool copper mold and solidified therein.\"),\n ]", + "start_line": 46, + "end_line": 53 }, { "source": "doi_10_3390__e21010015/exp:0/raw:elements", @@ -5264,7 +6802,15 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -5272,7 +6818,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, source=\"2. Materials and Methods: The stacked metals were melted together in a water-cool copper mold and solidified therein.\"),\n ]", + "start_line": 46, + "end_line": 53 }, { "source": "doi_10_3390__e21010015/exp:0/raw:elements", @@ -5286,7 +6835,15 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -5294,7 +6851,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, source=\"2. Materials and Methods: The stacked metals were melted together in a water-cool copper mold and solidified therein.\"),\n ]", + "start_line": 46, + "end_line": 53 }, { "source": "doi_10_3390__e21010015/exp:0/raw:elements", @@ -5308,7 +6868,15 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -5316,7 +6884,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, source=\"2. Materials and Methods: The stacked metals were melted together in a water-cool copper mold and solidified therein.\"),\n ]", + "start_line": 46, + "end_line": 53 }, { "source": "doi_10_3390__e21010015/exp:0/raw:elements", @@ -5330,7 +6901,15 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -5338,7 +6917,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.AsCast, source=\"2. Materials and Methods: The stacked metals were melted together in a water-cool copper mold and solidified therein.\"),\n ]", + "start_line": 46, + "end_line": 53 } ], "descriptions": [ @@ -5381,7 +6963,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "Chemical purity of inserted elements was 99.9%" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"Chemical purity of inserted elements was 99.9%\")", + "start_line": 40, + "end_line": 40 }, { "id": "doi_10_3390__e21020114/exp:0/material:0", @@ -5444,7 +7029,10 @@ "unit": "millimeter", "source": "grain size around 0.5 mm which is similar for all alloys." } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"HfNbTaTiZr\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=1155, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=1212, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=12.3, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=59, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=359, unit=HV, temperature=ROOM_TEMPERATURE),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.4089), description=\"uncertainty of last digit: +-1\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=100, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n ],\n )", + "start_line": 54, + "end_line": 70 }, { "id": "doi_10_3390__e21020114/exp:0/material:1", @@ -5538,7 +7126,10 @@ "unit": "millimeter", "source": "grain size around 0.5 mm which is similar for all alloys." } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTaTiZr\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=1144, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=1205, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=6.4, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=98, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=358, unit=HV, temperature=ROOM_TEMPERATURE),\n Configuration(\n name=\"Bright\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 17.0, \"Zr\": 16.0, \"Nb\": 32.0, \"Ta\": 35.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(1 std. dev.), Zr(1 std. dev.), Nb(2 std. dev.), Ta(2 std. dev.)\", # There was a typo in the paper. it said 22 std. dev. but it should be 2 std. dev.\n )\n ],\n ),\n Configuration(\n name=\"Dark\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 25.0, \"Zr\": 35.0, \"Nb\": 23.0, \"Ta\": 17.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(2 std. dev.), Zr(2 std. dev.), Nb(2 std. dev.), Ta(1 std. dev.)\",\n )\n ],\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.3509), description=\"uncertainty of last digit: +-8\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=60.15, unit=percent),\n source=\"Table 5\",\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.380), description=\"uncertainty of last digit: +-2\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=39.85, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n ],\n )", + "start_line": 71, + "end_line": 113 }, { "id": "doi_10_3390__e21020114/exp:0/material:2", @@ -5625,7 +7216,10 @@ "unit": "millimeter", "source": "grain size around 0.5 mm which is similar for all alloys." } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTaTi\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=620, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=683, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=18.5, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=143, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=246, unit=HV, temperature=ROOM_TEMPERATURE),\n Configuration(\n name=\"Bright\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 23.0, \"Nb\": 28.0, \"Ta\": 49.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(2 std. dev.), Nb(1 std. dev.), Ta(2 std. dev.)\",\n )\n ],\n ),\n Configuration(\n name=\"Dark\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 42.0, \"Nb\": 28.0, \"Ta\": 30.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(2 std. dev.), Nb(1 std. dev.), Ta(1 std. dev.)\",\n )\n ],\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.29685), description=\"uncertainty of last digit: +-7\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=100, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n ],\n )", + "start_line": 114, + "end_line": 150 }, { "id": "doi_10_3390__e21020114/exp:0/material:3", @@ -5737,7 +7331,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"TaTiZr\", method=MeasurementMethod.Balance),\n # yield strength was too brittle - but I'm not sure how we should represent this?\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=284, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=0, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=157, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=485, unit=HV, temperature=ROOM_TEMPERATURE),\n Configuration(\n name=\"Bright\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 32.0, \"Zr\": 16.0, \"Ta\": 52.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(2 std. dev.), Zr(2 std. dev.), Ta(2 std. dev.)\",\n )\n ],\n ),\n Configuration(\n name=\"Dark\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 40.0, \"Zr\": 35.0, \"Ta\": 25.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(3 std. dev.), Zr(3 std. dev.), Ta(1 std. dev.)\",\n )\n ],\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.446), description=\"uncertainty of last digit: +-1\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=29.08, unit=percent),\n source=\"Table 5\",\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.3184), description=\"uncertainty of last digit: +-2\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=70.92, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n Configuration(\n name=\"Matrix\",\n source=\"3.4 Microstructure\",\n measurements=[\n CompMeasurement({\"Ta\": 38}, method=MeasurementMethod.Balance, validate_composition=False), # (38 +- 1) at.%\n ],\n ),\n Configuration(\n name=\"submicron precipitates\",\n description=\"Found on grain boundaries\",\n source=\"3.4 Microstructure\",\n measurements=[\n CompMeasurement({\"Ta\": 52}, method=MeasurementMethod.Balance, validate_composition=False), # (52 +- 1) at.%\n ],\n ),\n ],\n )", + "start_line": 151, + "end_line": 208 }, { "id": "doi_10_3390__e21020114/exp:0/material:4", @@ -5800,7 +7397,10 @@ "unit": "millimeter", "source": "grain size around 0.5 mm which is similar for all alloys." } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"NbTiZr\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=956, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=991, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=14.2, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=88, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=295, unit=HV, temperature=ROOM_TEMPERATURE),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.3969), description=\"uncertainty of last digit: +-1\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=100, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n ],\n )", + "start_line": 209, + "end_line": 225 }, { "id": "doi_10_3390__e21020114/exp:0/material:5", @@ -5907,7 +7507,10 @@ "description": "Found on grain boundaries. Rich in Ta", "source": "3.4 Microstructure" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Nb1.5TaTiZr0.5\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=822, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=852, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=0.33, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=127, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=294, unit=HV, temperature=ROOM_TEMPERATURE),\n Configuration(\n name=\"Bright\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 13.0, \"Zr\": 7.0, \"Nb\": 41.0, \"Ta\": 39.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(1 std. dev.), Zr(1 std. dev.), Nb(3 std. dev.), Ta(3 std. dev.)\",\n )\n ],\n ),\n Configuration(\n name=\"Dark\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 22.0, \"Zr\": 22.0, \"Nb\": 36.0, \"Ta\": 20.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(2 std. dev.), Zr(2 std. dev.), Nb(2 std. dev.), Ta(2 std. dev.)\",\n ),\n ],\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.3220), description=\"uncertainty of last digit: +-5\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=28.25, unit=percent),\n source=\"Table 5\",\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.334), description=\"uncertainty of last digit: +-2\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=71.22, unit=percent),\n source=\"Table 5\",\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.3273), description=\"uncertainty of last digit: +-2\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=0.53, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n Configuration(name=\"submicron precipitates\", description=\"Found on grain boundaries. Rich in Ta\", source=\"3.4 Microstructure\"),\n ],\n )", + "start_line": 226, + "end_line": 275 }, { "id": "doi_10_3390__e21020114/exp:0/material:6", @@ -6007,7 +7610,10 @@ "description": "Found on grain boundaries. Rich in Ta", "source": "3.4 Microstructure" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Nb0.5TaTiZr1.5\", method=MeasurementMethod.Balance),\n # yield strength was too brittle - but I'm not sure how we should represent this?\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=843, unit=MegaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"A[%]\"), value=0, unit=percent, temperature=ROOM_TEMPERATURE, source=\"Table 3\"),\n Measurement(kind=AlloyMeasurementKind.youngs_modulus, value=93, unit=GigaPascal, temperature=ROOM_TEMPERATURE),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=489, unit=HV, temperature=ROOM_TEMPERATURE),\n Configuration(\n name=\"Bright\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 19.0, \"Zr\": 28.0, \"Nb\": 16.0, \"Ta\": 37.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(1 std. dev.), Zr(1 std. dev.), Nb(1 std. dev.), Ta(2 std. dev.)\",\n )\n ],\n ),\n Configuration(\n name=\"Dark\",\n measurements=[\n CompMeasurement(\n {\"Ti\": 22.0, \"Zr\": 42.0, \"Nb\": 15.0, \"Ta\": 21.0},\n method=MeasurementMethod.WDS,\n description=\"uncertainties: Ti(2 std. dev.), Zr(3 std. dev.), Nb(2 std. dev.), Ta(2 std. dev.)\",\n ),\n ],\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.451), description=\"uncertainty of last digit: +-5\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=19.64, unit=percent),\n source=\"Table 5\",\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.3395), description=\"uncertainty of last digit: +-3\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=77.97, unit=percent),\n source=\"Table 5\",\n ),\n GlobalLatticeParam(\n lattice=LatticeMeasurement(lattice=Lattice.cubic(3.4121), description=\"uncertainty of last digit: +-4\"),\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=2.39, unit=percent),\n source=\"Table 5\",\n ),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~0.5\", unit=Millimeter, source=\"grain size around 0.5 mm which is similar for all alloys.\"),\n Configuration(name=\"submicron precipitates\", description=\"Found on grain boundaries. Rich in Ta\", source=\"3.4 Microstructure\"),\n ],\n )", + "start_line": 276, + "end_line": 325 } ], "edges": [ @@ -6023,7 +7629,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6032,7 +7647,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 }, { "source": "doi_10_3390__e21020114/exp:0/raw:elements", @@ -6046,7 +7664,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6055,7 +7682,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 }, { "source": "doi_10_3390__e21020114/exp:0/raw:elements", @@ -6069,7 +7699,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6078,7 +7717,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 }, { "source": "doi_10_3390__e21020114/exp:0/raw:elements", @@ -6092,7 +7734,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6101,7 +7752,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 }, { "source": "doi_10_3390__e21020114/exp:0/raw:elements", @@ -6115,7 +7769,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6124,7 +7787,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 }, { "source": "doi_10_3390__e21020114/exp:0/raw:elements", @@ -6138,7 +7804,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6147,7 +7822,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 }, { "source": "doi_10_3390__e21020114/exp:0/raw:elements", @@ -6161,7 +7839,16 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -6170,7 +7857,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=normalize(ProcessKind.ArcMelting, \"Vacuum Arc Melting\"),\n description=\"Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(\n kind=ProcessKind.AsCast,\n description=\"Final cast ingot has approximately 100 mm in length, 30 mm in width, 10 mm in height and 400 g in weight.\",\n source=\"2. Materials and Methods: Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible\",\n ),\n ]", + "start_line": 41, + "end_line": 52 } ], "descriptions": [ @@ -6213,7 +7903,10 @@ "kind": "RawMaterialKind.Powder", "description": "Co, Cr, Ni, Cu, and Zn with a purity of more than 99.5 wt.% and a particle size of ~45 \u00b5m" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Powder, description=\"Co, Cr, Ni, Cu, and Zn with a purity of more than 99.5 wt.% and a particle size of ~45 \u00b5m\")", + "start_line": 32, + "end_line": 32 }, { "id": "doi_10_3390__e21020122/exp:0/material:0", @@ -6240,7 +7933,10 @@ "unit": "percent", "source": "Table 1" } - ] + ], + "source_code": "Material(\n process=\"elements->Milling[Duration=6]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.crystallite_size, value=22, unit=Nanometer, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.lattice_strain, value=0.64, unit=percent, source=\"Table 1\"),\n ],\n )", + "start_line": 76, + "end_line": 83 }, { "id": "doi_10_3390__e21020122/exp:0/material:1", @@ -6267,7 +7963,10 @@ "unit": "percent", "source": "Table 1" } - ] + ], + "source_code": "Material(\n process=\"elements->Milling[Duration=18]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.crystallite_size, value=19, unit=Nanometer, source=\"Table 1\"),\n Measurement(kind=AlloyMeasurementKind.lattice_strain, value=0.65, unit=percent, source=\"Table 1\"),\n ],\n )", + "start_line": 84, + "end_line": 91 }, { "id": "doi_10_3390__e21020122/exp:0/material:2", @@ -6302,7 +8001,10 @@ "unit": "percent", "source": "Table 1" } - ] + ], + "source_code": "Material(\n process=\"elements->Milling[Duration=30]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(\n struct=CrysStruct.BCC,\n lattice=LatticeMeasurement(lattice=Lattice.cubic(2.8831)),\n description=\"BCC with (1 1 0), (2 0 0), (2 1 1) peaks\",\n source=\"After 30-h milling, only 3 peaks of a BCC structure ((1 1 0), (2 0 0), (2 1 1)) could be identified, indicating the formation of a simple solid solution\",\n ),\n Measurement(\n kind=AlloyMeasurementKind.crystallite_size,\n value=13,\n unit=Nanometer,\n description=\"calculated by Scherrer's formula from XRD\",\n source=\"Table 1. also: The crystallite size (CS) and lattice strain (LS) of CoCrNiCuZn HEA obtained after milling for different time were calculated by Scherrer\u2019s formula after eliminating the interferences of instruments and strain [16,17]\",\n ),\n Measurement(kind=AlloyMeasurementKind.lattice_strain, value=0.67, unit=percent, source=\"Table 1\"),\n # This below measurement is actually most likely incorrect. This is because the 10 Nm grain size is explicitly mentioned to be measured by brightfield TEM on the 60h sample.\n # It wasn't mentioned to be measured on the 30h sample. This is probably a typo since it's only mentioned in the conclusion and they mentioned the 10nm crystalline size twice: in the abstract and in this sentence\n # Measurement(kind=AlloyMeasurementKind.crystallite_size, value=10, unit=Nanometer, source=\"Conclusion: After 30-h ball milling, a BCC phase structure with a grain size of 10 nm was formed.\"),\n ],\n )", + "start_line": 92, + "end_line": 114 }, { "id": "doi_10_3390__e21020122/exp:0/material:3", @@ -6370,7 +8072,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"elements->Milling[Duration=60]\",\n name=\"base\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(\n struct=CrysStruct.BCC,\n phase_fraction=Quantity(value=100, unit=percent), # not sure if I should put 100. but they did say that only a sinlge phase was detected.\n source=\"The rings in the SAED pattern (Figure 3) indicated that the nanocrystalline HEA powder after 60 h milling only consisted of a BCC phase.\",\n ),\n Measurement(kind=AlloyMeasurementKind.lattice_strain, value=0.70, unit=percent, source=\"Table 1\"),\n Measurement(\n kind=AlloyMeasurementKind.crystallite_size,\n value=13,\n unit=Nanometer,\n description=\"calculated by Scherrer's formula from XRD\",\n source=\"Table 1. also: The crystallite size (CS) and lattice strain (LS) of CoCrNiCuZn HEA obtained after milling for different time were calculated by Scherrer\u2019s formula after eliminating the interferences of instruments and strain [16,17]\",\n ),\n Measurement(kind=AlloyMeasurementKind.crystallite_size, value=\"~10\", unit=Nanometer, description=\"measured from bright field TEM image\", source=\"The crystal size measured from bright field TEM image was approximately 10 nm\"),\n # note: The DSC peaks are very flat (yes I cheated by looking at figures). But we can guess it's 2 phases because of the composition (and because they said it was 2 phases)\n Configuration(\n name=\"Phase 1\",\n measurements=[\n Measurement(\n kind=AlloyMeasurementKind.solidus,\n value=1244.8,\n unit=Celsius,\n source=\"Two endothermic peaks at 1244.8 \u25e6C and 1321.8 \u25e6C were considered as the melting points of different phases. We know it's solidus because they say endothermic.\",\n ),\n ],\n ),\n Configuration(\n name=\"Phase 2\",\n measurements=[\n Measurement(\n kind=AlloyMeasurementKind.solidus,\n value=1321.8,\n unit=Celsius,\n source=\"Two endothermic peaks at 1244.8 \u25e6C and 1321.8 \u25e6C were considered as the melting points of different phases. We know it's solidus because they say endothermic.\",\n ),\n ],\n ),\n ],\n )", + "start_line": 115, + "end_line": 158 }, { "id": "doi_10_3390__e21020122/exp:0/material:4", @@ -6390,7 +8095,10 @@ "unit": "gram / centimeter ** 3", "source": "3.2.2. Microstructure" } - ] + ], + "source_code": "Material(\n process=\"base->SPS[Temp=600]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.density, value=5.26, unit=gram_per_cm3, source=\"3.2.2. Microstructure\"),\n ],\n )", + "start_line": 159, + "end_line": 165 }, { "id": "doi_10_3390__e21020122/exp:0/material:5", @@ -6410,7 +8118,10 @@ "unit": "gram / centimeter ** 3", "source": "3.2.2. Microstructure" } - ] + ], + "source_code": "Material(\n process=\"base->SPS[Temp=700]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.density, value=6.26, unit=gram_per_cm3, source=\"3.2.2. Microstructure\"),\n ],\n )", + "start_line": 166, + "end_line": 172 }, { "id": "doi_10_3390__e21020122/exp:0/material:6", @@ -6430,7 +8141,10 @@ "unit": "gram / centimeter ** 3", "source": "3.2.2. Microstructure" } - ] + ], + "source_code": "Material(\n process=\"base->SPS[Temp=800]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.density, value=7.84, unit=gram_per_cm3, source=\"3.2.2. Microstructure\"),\n ],\n )", + "start_line": 173, + "end_line": 179 }, { "id": "doi_10_3390__e21020122/exp:0/material:7", @@ -6476,7 +8190,10 @@ "name": "FCC2", "source": "Two FCC phases were formed at 900C and respectively recorded as FCC1 and FCC2" } - ] + ], + "source_code": "Material(\n process=\"base->SPS[Temp=900]\",\n measurements=[\n CompMeasurement(\"CoCrNiCuZn\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.density, value=7.89, unit=gram_per_cm3, source=\"3.2.2. Microstructure\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_compressive_strength, value=2121, unit=MegaPascal, source=\"3.2.3. Mechanical Properties\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=615, unit=HV, source=\"3.2.3. Mechanical Properties\"),\n # When we include figure analysis in this dataset, we should add the peak information for these FCC phases\n GlobalLatticeParam(struct=CrysStruct.FCC, name=\"FCC1\", source=\"Two FCC phases were formed at 900C and respectively recorded as FCC1 and FCC2\"),\n GlobalLatticeParam(struct=CrysStruct.FCC, name=\"FCC2\", source=\"Two FCC phases were formed at 900C and respectively recorded as FCC1 and FCC2\"),\n ],\n )", + "start_line": 180, + "end_line": 191 } ], "edges": [ @@ -6495,11 +8212,20 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "6 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n duration=Quantity(value=\"[Duration]\", unit=Hour),\n description=\"Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 57, + "end_line": 64 }, { "source": "doi_10_3390__e21020122/exp:0/raw:elements", @@ -6516,11 +8242,20 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "18 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n duration=Quantity(value=\"[Duration]\", unit=Hour),\n description=\"Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 57, + "end_line": 64 }, { "source": "doi_10_3390__e21020122/exp:0/raw:elements", @@ -6537,11 +8272,20 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "30 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n duration=Quantity(value=\"[Duration]\", unit=Hour),\n description=\"Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 57, + "end_line": 64 }, { "source": "doi_10_3390__e21020122/exp:0/raw:elements", @@ -6558,11 +8302,20 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "60 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.MechanicalAlloying,\n duration=Quantity(value=\"[Duration]\", unit=Hour),\n description=\"Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 57, + "end_line": 64 }, { "source": "doi_10_3390__e21020122/exp:0/material:3", @@ -6580,11 +8333,20 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "600 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "base", + "base", + "base", + "base" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n duration=Quantity(value=10, unit=Minute),\n description=\"Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 65, + "end_line": 73 }, { "source": "doi_10_3390__e21020122/exp:0/material:3", @@ -6602,11 +8364,20 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "700 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "base", + "base", + "base", + "base" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n duration=Quantity(value=10, unit=Minute),\n description=\"Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 65, + "end_line": 73 }, { "source": "doi_10_3390__e21020122/exp:0/material:3", @@ -6624,11 +8395,20 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "800 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "base", + "base", + "base", + "base" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n duration=Quantity(value=10, unit=Minute),\n description=\"Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 65, + "end_line": 73 }, { "source": "doi_10_3390__e21020122/exp:0/material:3", @@ -6646,11 +8426,20 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "900 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "base", + "base", + "base", + "base" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=\"[Temp]\", unit=Celsius),\n duration=Quantity(value=10, unit=Minute),\n description=\"Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.\",\n source=\"2. Experimental\",\n )\n ]", + "start_line": 65, + "end_line": 73 } ], "descriptions": [ @@ -6698,7 +8487,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "purity of 99.99%" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"purity of 99.99%\")", + "start_line": 32, + "end_line": 32 }, { "id": "doi_10_3390__e21020169/exp:0/material:0", @@ -6940,7 +8732,10 @@ "source": "Table 2", "temperature": "900 degree_Celsius" } - ] + ], + "source_code": "Material(\n # this is not the base sample. this is just stufff they did to analyze the base alloy.\n # this is just data from table 1\n # I'm assuming this is traditionally cast since they don't explicitly mention directional solidification.\n # It also comes before section \"3.2. Impact of Bridgman Process on Mechanical Properties.\" so it should be conventionally cast.\n # Note: This sample is for the base alloy. we know it was homogenized since the text mentions: \"The homogenization treatment for the base alloy (1220 \u00b0C/20 h) was supposed to work for Al9Co25Cr8Fe15Ni36Ti6Mo1 and the Hf-containing alloy alloy as well\"\n process=\"elements->melt->conventionally_cast->homogenization_base->annealing_900c_50h->preparation\",\n measurements=[\n CompMeasurement(\"Al10Co25Cr8Fe15Ni36Ti6\", method=MeasurementMethod.Balance),\n Configuration(\n tags={ConfigTag.Matrix},\n name=\"gamma-Matrix\",\n struct=CrysStruct.FCC,\n measurements=[\n CompMeasurement({\"Al\": 6.9, \"Co\": 29.5, \"Cr\": 9.3, \"Fe\": 20.4, \"Ni\": 30.4, \"Ti\": 3.5}, method=MeasurementMethod.TEM_EDS),\n ],\n source=\"How we know it's FCC: 3.1 Chemical and Microstructural Analysis of Al10Co25Cr8Fe15Ni36Ti6: 'Subsequent annealing for 50 h at 900 C ... The matrix has a face-centered cubic structure'\",\n ),\n Configuration(\n within=\"gamma-Matrix\",\n name=\"gamma-prime-particles\",\n struct=CrysStruct.L12,\n tags={ConfigTag.Precipitate},\n measurements=[\n CompMeasurement({\"Al\": 11.4, \"Co\": 22.5, \"Cr\": 3.5, \"Fe\": 8.8, \"Ni\": 45.0, \"Ti\": 8.7}, method=MeasurementMethod.TEM_EDS),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=200, uncertainty=70, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=38, uncertainty=7, unit=percent, source=\"Table 3\"),\n Measurement(kind=normalize(val=PhaseMeasurementKind.length, val_in_paper=\"edge length\"), description=\"edge length of cuboidal gamma prime particles\", value=\"<=400\", unit=Nanometer, source=\"Figure 1b description\"),\n Measurement(\n kind=PhaseMeasurementKind.grain_size,\n description=\"size of secondary gamma prime particles\",\n value=\"<100\",\n unit=Nanometer,\n source=\"Figure 1b description: The authors mention '(some 10 nm)' But since they're using an SEM, it's unlikely that they can see 10 nm particles. What these German authors probably mean is 'tens of nanometers'\",\n ),\n ],\n source=\"Table 1 and This alloy composition is the base alloy for this work, exhibiting L12-ordered, coherently embedded precipitates in a fcc-matrix\",\n ),\n Configuration(\n name=\"Heusler type\",\n struct=CrysStruct.Heusler,\n description=\"Needle-shaped\", # Figure 1a) shows the large (several 10 \u00b5m), randomly distributed Heusler type phase, with its characteristic needle-like shape\n measurements=[\n CompMeasurement({\"Al\": 24.4, \"Co\": 21.9, \"Cr\": 3.6, \"Fe\": 10.7, \"Ni\": 33.9, \"Ti\": 5.6}, method=MeasurementMethod.TEM_EDS),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=3, uncertainty=2, unit=percent, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.length, value=\"<=50\", unit=Micrometer, source=\"Figure 1a description\"),\n ],\n source=\"Table 1\",\n ),\n # This next data is from table 2\n # We know the annealing is 900C for 50 Hrs because they said so at the start of \"3.2. Impact of Bridgman Process on Mechanical Properties\"\n # \"The heat treatment was equal for both conditions (annealing at 900 \u25e6C for 50 h).\"\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=696, unit=MegaPascal, uncertainty=33, temperature=Quantity(value=\"~23\", unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=561, unit=MegaPascal, uncertainty=50, temperature=Quantity(value=600, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=560, unit=MegaPascal, uncertainty=27, temperature=Quantity(value=700, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=536, unit=MegaPascal, uncertainty=7, temperature=Quantity(value=800, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=312, unit=MegaPascal, uncertainty=6, temperature=Quantity(value=900, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=520, unit=MegaPascal, uncertainty=19, temperature=Quantity(value=\"~23\", unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=470, unit=MegaPascal, uncertainty=8, temperature=Quantity(value=600, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=461, unit=MegaPascal, uncertainty=10, temperature=Quantity(value=700, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=445, unit=MegaPascal, uncertainty=2, temperature=Quantity(value=800, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=219, unit=MegaPascal, uncertainty=6, temperature=Quantity(value=900, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=49, unit=percent, uncertainty=0, temperature=Quantity(value=\"~23\", unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=11, unit=percent, uncertainty=8, temperature=Quantity(value=600, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=9, unit=percent, uncertainty=4, temperature=Quantity(value=700, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=6, unit=percent, uncertainty=4, temperature=Quantity(value=800, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=8, unit=percent, uncertainty=6, temperature=Quantity(value=900, unit=Celsius), source=\"Table 2\"),\n ],\n )", + "start_line": 102, + "end_line": 170 }, { "id": "doi_10_3390__e21020169/exp:0/material:1", @@ -7088,7 +8883,10 @@ "source": "Table 2", "temperature": "900 degree_Celsius" } - ] + ], + "source_code": "Material(\n process=\"elements->melt->directional_solidification->homogenization_base->annealing_900c_50h->preparation\",\n measurements=[\n CompMeasurement(\"Al10Co25Cr8Fe15Ni36Ti6\", method=MeasurementMethod.Balance),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=1197, unit=MegaPascal, uncertainty=6, temperature=Quantity(value=\"~23\", unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=1006, unit=MegaPascal, uncertainty=16, temperature=Quantity(value=600, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=840, unit=MegaPascal, uncertainty=1, temperature=Quantity(value=700, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=575, unit=MegaPascal, uncertainty=7, temperature=Quantity(value=800, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=319, unit=MegaPascal, uncertainty=1, temperature=Quantity(value=900, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=627, unit=MegaPascal, uncertainty=9, temperature=Quantity(value=\"~23\", unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=594, unit=MegaPascal, uncertainty=3, temperature=Quantity(value=600, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=547, unit=MegaPascal, uncertainty=42, temperature=Quantity(value=700, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=399, unit=MegaPascal, uncertainty=1, temperature=Quantity(value=800, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=243, unit=MegaPascal, uncertainty=2, temperature=Quantity(value=900, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=27, unit=percent, uncertainty=1, temperature=Quantity(value=\"~23\", unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=12, unit=percent, uncertainty=2, temperature=Quantity(value=600, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=17, unit=percent, uncertainty=5, temperature=Quantity(value=700, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=20, unit=percent, uncertainty=4, temperature=Quantity(value=800, unit=Celsius), source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=34, unit=percent, uncertainty=1, temperature=Quantity(value=900, unit=Celsius), source=\"Table 2\"),\n # Not sure if the \"processing techniques\" described in the below quote from the paper is talking about directional solidification or conventionally cast:\n # \"The phase-characteristics (content and size) concerning Heusler type phase and \u03b3\u2032-phase were identical for both types of processing techniques\"\n ],\n )", + "start_line": 172, + "end_line": 194 }, { "id": "doi_10_3390__e21020169/exp:0/material:2", @@ -7152,7 +8950,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"elements->melt->directional_solidification->homogenization_base->annealing_950c_100h->preparation\",\n measurements=[\n CompMeasurement(\"Al10Co25Cr8Fe15Ni36Ti6\", method=MeasurementMethod.Balance),\n Configuration(name=\"gamma-Matrix\", tags={ConfigTag.Matrix}),\n Configuration(\n name=\"gamma-prime-particles\",\n within=\"gamma-Matrix\",\n description=\"the shape of these particles is cuboidal (round corners)\",\n tags={ConfigTag.Precipitate},\n measurements=[\n Measurement(kind=PhaseMeasurementKind.grain_size, value=400, uncertainty=100, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=41, uncertainty=3, unit=percent, source=\"Table 3\"),\n ],\n ),\n Configuration(\n name=\"Heusler type phase\",\n description=\"Needle-shaped\",\n struct=CrysStruct.Heusler,\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=9, uncertainty=1, unit=percent, source=\"Table 3\"),\n ],\n source=\"We know this heusler-type phase is needle-shapped because: 'the needle-shaped Heusler type phase in the case of the base alloy and the Mo-containing alloy is represented in (c) and (i)' and the figure 6 description says: '950\u25e6C/100 h (b,c,e,f,h,i)' so we know it's this sample\",\n ),\n ],\n )", + "start_line": 198, + "end_line": 223 }, { "id": "doi_10_3390__e21020169/exp:0/material:3", @@ -7216,7 +9017,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"elements->melt->conventionally_cast->homogenization_hf->annealing_900c_50h->preparation\",\n measurements=[\n CompMeasurement(\"Al9.5Co25Cr8Fe15Ni36Ti6Hf0.5\", method=MeasurementMethod.Balance),\n Configuration(name=\"gamma-Matrix\", tags={ConfigTag.Matrix}),\n Configuration(\n name=\"gamma-prime-particles\",\n within=\"gamma-Matrix\",\n description=\"the shape of these particles is cuboidal (sharp corners)\",\n tags={ConfigTag.Precipitate},\n measurements=[\n Measurement(kind=PhaseMeasurementKind.grain_size, value=210, uncertainty=70, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=46, uncertainty=2, unit=percent, source=\"Table 3\"),\n ],\n ),\n Configuration(\n name=\"Heusler type\",\n struct=CrysStruct.Heusler,\n description=\"Spherical\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=6, uncertainty=1, unit=percent, source=\"Table 3\"),\n ],\n source=\"conclusions point 4: An amount of 0.5 at.% hafnium ... lead to a spherical Heusler type phase\",\n ),\n ],\n )", + "start_line": 226, + "end_line": 251 }, { "id": "doi_10_3390__e21020169/exp:0/material:4", @@ -7296,7 +9100,10 @@ "source": "3.4: Samples deformed at 600\u00b0C exhibited only half the strain to failure.", "temperature": "600 degree_Celsius" } - ] + ], + "source_code": "Material(\n # Figure 9 shows stress-strain curves for this sample, indicating it is directionally solidified\n # This is because the paper says: Directionally solidified samples were produced to neglect the huge factor of grain-structure\n # and grain-size in the mechanical behavior and to investigate the pure microstructure influence independently\n process=\"elements->melt->directional_solidification->homogenization_hf->annealing_950c_100h->preparation\",\n measurements=[\n CompMeasurement(\"Al9.5Co25Cr8Fe15Ni36Ti6Hf0.5\", method=MeasurementMethod.Balance),\n Configuration(name=\"gamma-Matrix\", tags={ConfigTag.Matrix}),\n Configuration(\n name=\"gamma-prime-particles\",\n within=\"gamma-Matrix\",\n description=\"the shape of these particles is cuboidal (sharp corners)\",\n tags={ConfigTag.Precipitate},\n measurements=[\n Measurement(kind=PhaseMeasurementKind.grain_size, value=420, uncertainty=100, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=38, uncertainty=8, unit=percent, source=\"Table 3\"),\n ],\n ),\n Configuration(\n name=\"Heusler type\",\n struct=CrysStruct.Heusler,\n description=\"Spherical\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=5, uncertainty=1, unit=percent, source=\"Table 3\"),\n ],\n source=\"conclusions point 4: An amount of 0.5 at.% hafnium ... lead to a spherical Heusler type phase\",\n ),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=\"~20\", unit=percent, temperature=ROOM_TEMPERATURE, source=\"3.4: Tests at room temperature reach the highest ultimate tensile strength with a strain to failure of about 20%.\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"strain_to_failure\"), value=\"~10\", unit=percent, temperature=Quantity(value=600, unit=Celsius), source=\"3.4: Samples deformed at 600\u00b0C exhibited only half the strain to failure.\"),\n ],\n )", + "start_line": 252, + "end_line": 282 }, { "id": "doi_10_3390__e21020169/exp:0/material:5", @@ -7360,7 +9167,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"elements->melt->conventionally_cast->homogenization_base->annealing_900c_50h->preparation\",\n measurements=[\n CompMeasurement(\"Al9Co25Cr8Fe15Ni36Ti6Mo1\", method=MeasurementMethod.Balance),\n Configuration(name=\"gamma-Matrix\", tags={ConfigTag.Matrix}),\n Configuration(\n name=\"gamma-prime-particles\",\n within=\"gamma-Matrix\",\n description=\"the shape of these particles is round\",\n tags={ConfigTag.Precipitate},\n measurements=[\n Measurement(kind=PhaseMeasurementKind.grain_size, value=190, uncertainty=70, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=44, uncertainty=1, unit=percent, source=\"Table 3\"),\n ],\n ),\n Configuration(\n name=\"Heusler type\",\n struct=CrysStruct.Heusler,\n description=\"Needle-shaped\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=3, uncertainty=3, unit=percent, source=\"Table 3\"),\n ],\n source=\"Conclusion point 3: Addition of 1 at.% molybdenum ... the Heusler type phase remained in its needle-like shape\",\n ),\n ],\n )", + "start_line": 283, + "end_line": 308 }, { "id": "doi_10_3390__e21020169/exp:0/material:6", @@ -7424,7 +9234,10 @@ } ] } - ] + ], + "source_code": "Material(\n # Figure 8 shows stress-strain curves for this sample, indicating it is directionally solidified\n # This is because the paper says: Directionally solidified samples were produced to neglect the huge factor of grain-structure\n # and grain-size in the mechanical behavior and to investigate the pure microstructure influence independently\n process=\"elements->melt->directional_solidification->homogenization_base->annealing_950c_100h->preparation\",\n measurements=[\n CompMeasurement(\"Al9Co25Cr8Fe15Ni36Ti6Mo1\", method=MeasurementMethod.Balance),\n Configuration(name=\"gamma-Matrix\", tags={ConfigTag.Matrix}),\n Configuration(\n name=\"gamma-prime-particles\",\n within=\"gamma-Matrix\",\n description=\"the shape of these particles is round\",\n tags={ConfigTag.Precipitate},\n measurements=[\n Measurement(kind=PhaseMeasurementKind.grain_size, value=360, uncertainty=100, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=37, uncertainty=1, unit=percent, source=\"Table 3\"),\n ],\n ),\n Configuration(\n name=\"Heusler type\",\n struct=CrysStruct.Heusler,\n description=\"Needle-shaped\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=3, uncertainty=1, unit=percent, source=\"Table 3\"),\n ],\n source=\"Conclusion point 3: Addition of 1 at.% molybdenum ... the Heusler type phase remained in its needle-like shape\",\n ),\n ],\n )", + "start_line": 309, + "end_line": 337 } ], "edges": [ @@ -7440,7 +9253,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7505,7 +9327,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.AsCast, source=\"3.2. Impact of Bridgman Process on Mechanical Properties: The base alloy was cast twice, conventionally cast\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1220, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=50, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 }, { "source": "doi_10_3390__e21020169/exp:0/raw:elements", @@ -7519,7 +9344,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7585,7 +9419,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.DirectionalSolidification,\n description=\"To achieve directionally solidified grains in the [001]-direction, the Bridgman process was used and the mold was withdrawn through a water cooled baffle with a speed of 3 mm/min. The product are cast rods, with a diameter of 20 mm and a length of about 110 mm\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1220, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=50, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 }, { "source": "doi_10_3390__e21020169/exp:0/raw:elements", @@ -7599,7 +9436,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7665,7 +9511,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.DirectionalSolidification,\n description=\"To achieve directionally solidified grains in the [001]-direction, the Bridgman process was used and the mold was withdrawn through a water cooled baffle with a speed of 3 mm/min. The product are cast rods, with a diameter of 20 mm and a length of about 110 mm\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1220, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=950, unit=Celsius),\n duration=Quantity(value=100, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 }, { "source": "doi_10_3390__e21020169/exp:0/raw:elements", @@ -7679,7 +9528,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7744,7 +9602,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.AsCast, source=\"3.2. Impact of Bridgman Process on Mechanical Properties: The base alloy was cast twice, conventionally cast\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1140, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=50, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 }, { "source": "doi_10_3390__e21020169/exp:0/raw:elements", @@ -7758,7 +9619,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7824,7 +9694,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.DirectionalSolidification,\n description=\"To achieve directionally solidified grains in the [001]-direction, the Bridgman process was used and the mold was withdrawn through a water cooled baffle with a speed of 3 mm/min. The product are cast rods, with a diameter of 20 mm and a length of about 110 mm\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1140, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=950, unit=Celsius),\n duration=Quantity(value=100, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 }, { "source": "doi_10_3390__e21020169/exp:0/raw:elements", @@ -7838,7 +9711,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7903,7 +9785,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.AsCast, source=\"3.2. Impact of Bridgman Process on Mechanical Properties: The base alloy was cast twice, conventionally cast\"),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1220, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=50, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 }, { "source": "doi_10_3390__e21020169/exp:0/raw:elements", @@ -7917,7 +9802,16 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation" + "source": "2.1. Alloy Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "Induction Melting", @@ -7983,7 +9877,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.UltrasonicBath, description=\"cleaned in ethanol in an ultrasonic bath\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(\n kind=ProcessKind.InductionMelting,\n description=\"The material was distributed randomly in a ceramic crucible in the middle of a water-cooled Cu-coil. After evacuating the chamber twice to a pressure of 5\u00b710^{-4} mbar it was flooded with argon to prevent the evaporation of elements, especially chromium. The ceramic mold was heated up to a temperature of 1400 \u00b0C by a second coil and a graphite receptor, thus the material remained in liquid state after casting. So the 1400 C is NOT the actual melting temperature - just the temp of the graphite receptor\",\n temperature=Quantity(value=1400, unit=Celsius),\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.DirectionalSolidification,\n description=\"To achieve directionally solidified grains in the [001]-direction, the Bridgman process was used and the mold was withdrawn through a water cooled baffle with a speed of 3 mm/min. The product are cast rods, with a diameter of 20 mm and a length of about 110 mm\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.Homogenization, temperature=Quantity(value=1220, unit=Celsius), duration=Quantity(value=20, unit=Hour), source=\"2.1. Alloy Preparation\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Annealing,\n temperature=Quantity(value=950, unit=Celsius),\n duration=Quantity(value=100, unit=Hour),\n description=\"After heat treatment the rods cooled down to room temperature in the furnace\",\n source=\"2.1. Alloy Preparation\",\n ),\n ]\n[\n ProcessEvent(kind=ProcessKind.SandBlasting, description=\"To remove the oxide layer\", source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.AquaRegia, source=\"2.1. Alloy Preparation\"),\n ProcessEvent(kind=ProcessKind.ElectricalDischargeMachining, description=\"The rods were cut to obtain samples for microscopic and mechanical characterization\", source=\"2.1. Alloy Preparation\"),\n ]", + "start_line": 48, + "end_line": 97 } ], "descriptions": [ @@ -8020,7 +9917,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "> 99.95 wt.% purity" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"> 99.95 wt.% purity\")", + "start_line": 32, + "end_line": 32 }, { "id": "doi_10_3390__e21030288/exp:0/material:0", @@ -8046,7 +9946,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"CoCrFeNiPdMn0\", method=MeasurementMethod.Balance),\n Configuration(\n struct=CrysStruct.FCC,\n measurements=[\n LatticeMeasurement(lattice=Lattice.cubic(3.669)),\n ],\n source=\"The Mn0 HEA was of a single FCC phase with a lattice parameter of a=3.669 \u00c5\",\n ),\n # I don't think this measurement applies to this since the paper doesn't say anything about the yield strength of the Mn0 HEA. But this can only be known for sure by looking that the chart :( - figure 9 doens't have an Mn0 line.\n # Measurement(kind=AlloyMeasurementKind.yield_strength, value=\"~650\", unit=MegaPascal, source=\"one can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa\"),\n ],\n )", + "start_line": 56, + "end_line": 69 }, { "id": "doi_10_3390__e21030288/exp:0/material:1", @@ -8152,7 +10055,10 @@ "unit": "gigapascal", "source": "The fracture strain (strength) decreased from about 50% (2.4 GPa) for the Mn0.2 HEA. But the source is talking about figure 9 which is a compressive test (not tensile)" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"CoCrFeNiPdMn0.2\", method=MeasurementMethod.Balance),\n Configuration(\n struct=CrysStruct.FCC,\n description=\"rich in Co, Cr, Fe, Ni and Pd but depleted of Mn\",\n tags={normalize(ConfigTag.Twin, \"nanotwins\")}, # Abundant nanotwins of about 50 nm could be found in the Mn0.2 EHEA\n measurements=[\n CompMeasurement(Composition({\"Co\": 22.32, \"Cr\": 21.23, \"Fe\": 19.30, \"Ni\": 19.79, \"Pd\": 13.49, \"Mn\": 2.09}), method=MeasurementMethod.EPMA, validate_composition=False, source=\"Table 1\"),\n Measurement(kind=\"nanotwin spacing\", value=\"~50\", unit=Nanometer, source=\"4.2: Abundant nanotwins of about 50 nm could be found in the Mn0.2 EHEA\"),\n ],\n source=\"We know it's FCC because of table 1 caption: EPMA results of the FCC phase\",\n ),\n Configuration(\n name=\"MnxPdy phase\",\n description=\"Mn3Pd5 intermetallic compound\",\n measurements=[\n CompMeasurement({\"Mn\": 3, \"Pd\": 5}),\n CompMeasurement(Composition({\"Co\": 3.87, \"Cr\": 7.48, \"Fe\": 8.55, \"Ni\": 5.49, \"Pd\": 47.32, \"Mn\": 27.29}), method=MeasurementMethod.EPMA, source=\"Table 2\"),\n LatticeMeasurement(\n lattice=Lattice.orthorhombic(\n convert_value_between_units(0.2285, Nanometer, ureg.angstrom),\n convert_value_between_units(0.1998, Nanometer, ureg.angstrom),\n convert_value_between_units(0.2278, Nanometer, ureg.angstrom),\n ),\n source=\"the MnxPdy phase was a Mn3Pd5 intermetallic compound with lattice parameters of a=0.2285 nm, b=0.1998 nm, c=0.2278 nm, being consistent with the XRD results in Figure 1.\",\n ),\n Measurement(\n kind=AlloyMeasurementKind.berkovich_hardness,\n value=4.9,\n unit=GigaPascal,\n source=\"the hardness of the Mn3Pd5 intermetallic compound in the Mn0.2 (4.9 GPa) and Mn0.4 (5.3 GPa) EHEAs was much larger than that of the Mn7Pd9 intermetallic compound in the Mn0.6 (3.1 GPa) and Mn0.8 (3.4 GPa) EHEAs.\",\n ),\n Measurement(kind=\"primary_twin_spacing\", value=242.10, uncertainty=26.63, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=\"secondary_twin_spacing\", value=10.02, uncertainty=1.10, unit=Nanometer, source=\"Table 3\"),\n ],\n ),\n # This measurement is hard! Since the text says \"yield strength\" but close look at the caption (which is elsewhere in the paper), says that it's \"compressive yield strength\".\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_compression,\n value=\"~650\",\n unit=MegaPascal,\n source=\"See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs\",\n ),\n Measurement(\n kind=AlloyMeasurementKind.fracture_strain_compression,\n value=\"~50\",\n unit=percent,\n source=\"The fracture strain (strength) decreased from about 50% (2.4 GPa) for the Mn0.2 HEA. But the source is talking about figure 9 which is a compressive test (not tensile)\",\n ),\n Measurement(\n kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Fracture Strength\"),\n value=\"~2.4\",\n unit=GigaPascal,\n source=\"The fracture strain (strength) decreased from about 50% (2.4 GPa) for the Mn0.2 HEA. But the source is talking about figure 9 which is a compressive test (not tensile)\",\n ),\n ],\n )", + "start_line": 70, + "end_line": 127 }, { "id": "doi_10_3390__e21030288/exp:0/material:2", @@ -8234,7 +10140,10 @@ "unit": "megapascal", "source": "See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"CoCrFeNiPdMn0.4\", method=MeasurementMethod.Balance),\n Configuration(\n struct=CrysStruct.FCC,\n description=\"rich in Co, Cr, Fe, Ni and Pd but depleted of Mn\",\n measurements=[\n CompMeasurement(Composition({\"Co\": 22.61, \"Cr\": 21.92, \"Fe\": 20.41, \"Ni\": 20.02, \"Pd\": 11.75, \"Mn\": 3.56}), method=MeasurementMethod.EPMA, validate_composition=False, source=\"Table 1\"),\n ],\n source=\"We know it's FCC because of table 1 caption: EPMA results of the FCC phase\",\n ),\n Configuration(\n name=\"MnxPdy phase\",\n description=\"Mn3Pd5 intermetallic compound\",\n measurements=[\n CompMeasurement({\"Mn\": 3, \"Pd\": 5}),\n CompMeasurement(Composition({\"Co\": 4.49, \"Cr\": 7.32, \"Fe\": 8.71, \"Ni\": 5.53, \"Pd\": 46.01, \"Mn\": 29.44}), method=MeasurementMethod.EPMA, validate_composition=False, source=\"Table 2\"),\n LatticeMeasurement(\n lattice=Lattice.orthorhombic(\n convert_value_between_units(0.2285, Nanometer, ureg.angstrom),\n convert_value_between_units(0.1998, Nanometer, ureg.angstrom),\n convert_value_between_units(0.2278, Nanometer, ureg.angstrom),\n ),\n source=\"For the Mn0.4 EHEA, the same result could be found from the SAED patterns, i.e., the matrix was the FCC phase and the MnxPdy phase was the Mn3Pd5 intermetallic compound.\",\n ),\n Measurement(\n kind=AlloyMeasurementKind.berkovich_hardness,\n value=5.3,\n unit=GigaPascal,\n source=\"the hardness of the Mn3Pd5 intermetallic compound in the Mn0.2 (4.9 GPa) and Mn0.4 (5.3 GPa) EHEAs was much larger than that of the Mn7Pd9 intermetallic compound in the Mn0.6 (3.1 GPa) and Mn0.8 (3.4 GPa) EHEAs.\",\n ),\n Measurement(kind=\"primary_twin_spacing\", value=180.33, uncertainty=19.84, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=\"secondary_twin_spacing\", value=9.99, uncertainty=1.22, unit=Nanometer, source=\"Table 3\"),\n ],\n ),\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_compression,\n value=\"~650\",\n unit=MegaPascal,\n source=\"See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs\",\n ),\n ],\n )", + "start_line": 128, + "end_line": 170 }, { "id": "doi_10_3390__e21030288/exp:0/material:3", @@ -8317,7 +10226,10 @@ "unit": "megapascal", "source": "See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"CoCrFeNiPdMn0.6\", method=MeasurementMethod.Balance),\n Configuration(\n struct=CrysStruct.FCC,\n description=\"CoCrFeNi-rich\", # the FCC phases became rich in Co, Cr, Fe and Ni for the Mn0.6 and Mn0.8 EHEAs.\n source=\"The Mn0.2, Mn0.4, Mn0.6 and Mn0.8 HEAs had a dual FCC phase and MnxPdy intermetallic compound.\",\n measurements=[\n CompMeasurement(Composition({\"Co\": 22.29, \"Cr\": 22.12, \"Fe\": 21.32, \"Ni\": 21.22, \"Pd\": 8.09, \"Mn\": 4.22}), method=MeasurementMethod.EPMA, validate_composition=False, source=\"Table 1\"),\n ],\n ),\n Configuration(\n name=\"MnxPdy phase\",\n description=\"Mn7Pd9 intermetallic compound\",\n source=\"The Mn0.2, Mn0.4, Mn0.6 and Mn0.8 HEAs had a dual FCC phase and MnxPdy intermetallic compound.\",\n measurements=[\n CompMeasurement({\"Mn\": 7, \"Pd\": 9}),\n CompMeasurement(Composition({\"Co\": 1.60, \"Cr\": 4.78, \"Fe\": 4.27, \"Ni\": 3.39, \"Pd\": 43.66, \"Mn\": 42.31}), method=MeasurementMethod.EPMA, source=\"Table 2\"),\n Measurement(\n kind=AlloyMeasurementKind.berkovich_hardness,\n value=3.1,\n unit=GigaPascal,\n source=\"the hardness of the Mn3Pd5 intermetallic compound in the Mn0.2 (4.9 GPa) and Mn0.4 (5.3 GPa) EHEAs was much larger than that of the Mn7Pd9 intermetallic compound in the Mn0.6 (3.1 GPa) and Mn0.8 (3.4 GPa) EHEAs.\",\n ),\n LatticeMeasurement(\n lattice=Lattice.tetragonal(\n a=convert_value_between_units(0.2267, Nanometer, ureg.angstrom),\n c=convert_value_between_units(0.203, Nanometer, ureg.angstrom),\n ),\n source=\"The MnxPdy phase could be the Mn7Pd9 or the Mn11Pd21 intermetallic compound with lattice parameters of a = b = 0.2267 nm, c = 0.203 nm or a = b = 0.2235 nm, c = 0.1816 nm. Because the Mn11Pd21 phase was neither confirmed experimentally nor theoretically [46], the MnxPdy phase in the Mn0.6 and Mn0.8 EHEAs was ultimately determined to be the Mn7Pd9 intermetallic compound.\",\n ),\n Measurement(kind=\"primary_twin_spacing\", value=14.96, uncertainty=16.46, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=\"secondary_twin_spacing\", value=2.22, uncertainty=0.24, unit=Nanometer, source=\"Table 3\"),\n ],\n ),\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_compression,\n value=\"~650\",\n unit=MegaPascal,\n source=\"See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs\",\n ),\n ],\n )", + "start_line": 171, + "end_line": 213 }, { "id": "doi_10_3390__e21030288/exp:0/material:4", @@ -8414,7 +10326,10 @@ "unit": "megapascal", "source": "See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"CoCrFeNiPdMn0.8\", method=MeasurementMethod.Balance),\n Configuration(\n struct=CrysStruct.FCC,\n description=\"CoCrFeNi-rich\", # the FCC phases became rich in Co, Cr, Fe and Ni for the Mn0.6 and Mn0.8 EHEAs.\n source=\"The Mn0.2, Mn0.4, Mn0.6 and Mn0.8 HEAs had a dual FCC phase and MnxPdy intermetallic compound.\",\n measurements=[\n CompMeasurement(Composition({\"Co\": 20.83, \"Cr\": 21.44, \"Fe\": 20.84, \"Ni\": 24.46, \"Pd\": 6.67, \"Mn\": 5.12}), method=MeasurementMethod.EPMA, validate_composition=False, source=\"Table 1\"),\n ],\n ),\n Configuration(\n name=\"MnxPdy phase\",\n description=\"Mn7Pd9 intermetallic compound\",\n source=\"The Mn0.2, Mn0.4, Mn0.6 and Mn0.8 HEAs had a dual FCC phase and MnxPdy intermetallic compound.\",\n measurements=[\n CompMeasurement({\"Mn\": 7, \"Pd\": 9}),\n CompMeasurement(Composition({\"Co\": 2.56, \"Cr\": 6.28, \"Fe\": 4.69, \"Ni\": 3.81, \"Pd\": 40.35, \"Mn\": 41.71}), method=MeasurementMethod.EPMA, validate_composition=False, source=\"Table 2\"),\n Measurement(\n kind=AlloyMeasurementKind.berkovich_hardness,\n value=3.4,\n unit=GigaPascal,\n source=\"the hardness of the Mn3Pd5 intermetallic compound in the Mn0.2 (4.9 GPa) and Mn0.4 (5.3 GPa) EHEAs was much larger than that of the Mn7Pd9 intermetallic compound in the Mn0.6 (3.1 GPa) and Mn0.8 (3.4 GPa) EHEAs.\",\n ),\n LatticeMeasurement(\n lattice=Lattice.tetragonal(\n a=convert_value_between_units(0.2267, Nanometer, ureg.angstrom),\n c=convert_value_between_units(0.203, Nanometer, ureg.angstrom),\n ),\n source=\"The MnxPdy phase could be the Mn7Pd9 or the Mn11Pd21 intermetallic compound with lattice parameters of a = b = 0.2267 nm, c = 0.203 nm or a = b = 0.2235 nm, c = 0.1816 nm. Because the Mn11Pd21 phase was neither confirmed experimentally nor theoretically [46], the MnxPdy phase in the Mn0.6 and Mn0.8 EHEAs was ultimately determined to be the Mn7Pd9 intermetallic compound.\",\n ),\n Measurement(kind=\"primary_twin_spacing\", value=15.02, uncertainty=1.65, unit=Nanometer, source=\"Table 3\"),\n Measurement(kind=\"secondary_twin_spacing\", value=1.46, uncertainty=0.16, unit=Nanometer, source=\"Table 3\"),\n ],\n ),\n Measurement(\n kind=AlloyMeasurementKind.fracture_strain_compression,\n value=\"~35\",\n unit=percent,\n source=\"The fracture strain (strength) decreased from about 50% (2.4 GPa) for the Mn0.2 HEA to about 35% (1.9 GPa) for the Mn0.8 HEA. But the source is talking about figure 9 which is a compressive test (not tensile)\",\n ),\n Measurement(\n kind=normalize(val=AlloyMeasurementKind.ultimate_compressive_strength, val_in_paper=\"Fracture Strength\"),\n value=\"~1.9\",\n unit=GigaPascal,\n source=\"The fracture strain (strength) decreased from about 50% (2.4 GPa) for the Mn0.2 HEA to about 35% (1.9 GPa) for the Mn0.8 HEA. But the source is talking about figure 9 which is a compressive test (not tensile)\",\n ),\n Measurement(\n kind=AlloyMeasurementKind.yield_strength_compression,\n value=\"~650\",\n unit=MegaPascal,\n source=\"See Figure 9 One can see that with the increase of Mn addition, the yielding strength held constantly at about 650 MPa. The Figure 9 caption is: Compressive engineering stress-strain curves of as-cast CoCrFeNiPdMnx (x = 0.2\u20130.8) HEAs\",\n ),\n ],\n )", + "start_line": 214, + "end_line": 268 } ], "edges": [ @@ -8431,7 +10346,14 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation" + "source": "2.1 Material Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -8440,7 +10362,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process\",\n source=\"2.1 Material Preparation\",\n duration=Quantity(5, Minute), # I was debating adding the 5 min or not since being held at liquid state for 5 min is not the overal melting process. but we probably don't care that much - especially since this is melting not annealing. I've seen llms extract 5min so might as well keep it here.\n ),\n ProcessEvent(kind=ProcessKind.AsCast, description=\"The prepared button-shaped ingots were approximately 20 mm in diameter and 10 mm in thickness.\", source=\"2.1 Material Preparation\"),\n ]", + "start_line": 46, + "end_line": 54 }, { "source": "doi_10_3390__e21030288/exp:0/raw:elements", @@ -8455,7 +10380,14 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation" + "source": "2.1 Material Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -8464,7 +10396,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process\",\n source=\"2.1 Material Preparation\",\n duration=Quantity(5, Minute), # I was debating adding the 5 min or not since being held at liquid state for 5 min is not the overal melting process. but we probably don't care that much - especially since this is melting not annealing. I've seen llms extract 5min so might as well keep it here.\n ),\n ProcessEvent(kind=ProcessKind.AsCast, description=\"The prepared button-shaped ingots were approximately 20 mm in diameter and 10 mm in thickness.\", source=\"2.1 Material Preparation\"),\n ]", + "start_line": 46, + "end_line": 54 }, { "source": "doi_10_3390__e21030288/exp:0/raw:elements", @@ -8479,7 +10414,14 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation" + "source": "2.1 Material Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -8488,7 +10430,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process\",\n source=\"2.1 Material Preparation\",\n duration=Quantity(5, Minute), # I was debating adding the 5 min or not since being held at liquid state for 5 min is not the overal melting process. but we probably don't care that much - especially since this is melting not annealing. I've seen llms extract 5min so might as well keep it here.\n ),\n ProcessEvent(kind=ProcessKind.AsCast, description=\"The prepared button-shaped ingots were approximately 20 mm in diameter and 10 mm in thickness.\", source=\"2.1 Material Preparation\"),\n ]", + "start_line": 46, + "end_line": 54 }, { "source": "doi_10_3390__e21030288/exp:0/raw:elements", @@ -8503,7 +10448,14 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation" + "source": "2.1 Material Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -8512,7 +10464,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process\",\n source=\"2.1 Material Preparation\",\n duration=Quantity(5, Minute), # I was debating adding the 5 min or not since being held at liquid state for 5 min is not the overal melting process. but we probably don't care that much - especially since this is melting not annealing. I've seen llms extract 5min so might as well keep it here.\n ),\n ProcessEvent(kind=ProcessKind.AsCast, description=\"The prepared button-shaped ingots were approximately 20 mm in diameter and 10 mm in thickness.\", source=\"2.1 Material Preparation\"),\n ]", + "start_line": 46, + "end_line": 54 }, { "source": "doi_10_3390__e21030288/exp:0/raw:elements", @@ -8527,7 +10482,14 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation" + "source": "2.1 Material Preparation", + "inputs": [ + "elements", + "elements", + "elements", + "elements", + "elements" + ] }, { "kind": "As Cast", @@ -8536,7 +10498,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.ArcMelting,\n description=\"The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process\",\n source=\"2.1 Material Preparation\",\n duration=Quantity(5, Minute), # I was debating adding the 5 min or not since being held at liquid state for 5 min is not the overal melting process. but we probably don't care that much - especially since this is melting not annealing. I've seen llms extract 5min so might as well keep it here.\n ),\n ProcessEvent(kind=ProcessKind.AsCast, description=\"The prepared button-shaped ingots were approximately 20 mm in diameter and 10 mm in thickness.\", source=\"2.1 Material Preparation\"),\n ]", + "start_line": 46, + "end_line": 54 } ], "descriptions": [ @@ -8571,7 +10536,10 @@ "kind": "RawMaterialKind.Unspecified", "description": "of high purity" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"of high purity\")", + "start_line": 27, + "end_line": 27 }, { "id": "doi_10_3390__e21050448/exp:0/material:0", @@ -8618,7 +10586,10 @@ "unit": "percent", "source": "3.2. Mechanical Properties" } - ] + ], + "source_code": "Material(\n process=\"elements->create_as_extruded\",\n name=\"as_extruded\",\n measurements=[\n CompMeasurement(\"CoCrFeNiMo0.2\", method=MeasurementMethod.Balance),\n GlobalLatticeParam(struct=CrysStruct.FCC, source=\"Figure 1b shows the XRD patterns of the P/M CoCrFeNiMo0.2 HEA, where the alloy shows clearly a single FCC structure.\"),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=\"~20\", unit=Micrometer, source=\"the extruded alloy exhibits an equiaxed grain structure with an average grain size of approximately 20 \u03bcm\", measurement_statistic=MeasurementStatistic.mean),\n Measurement(kind=AlloyMeasurementKind.yield_strength_tension, value=\"~400\", unit=MegaPascal, source=\"3.2. Mechanical Properties\"),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=\"~781\", unit=MegaPascal, source=\"3.2. Mechanical Properties\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"elongation to failure\"), value=\"~55.6\", unit=percent, source=\"3.2. Mechanical Properties\"),\n ],\n )", + "start_line": 53, + "end_line": 64 }, { "id": "doi_10_3390__e21050448/exp:0/material:1", @@ -8671,7 +10642,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"as_extruded->annealing[Temp=700]_72hrs\",\n measurements=[\n CompMeasurement(\"CoCrFeNiMo0.2\", method=MeasurementMethod.Balance),\n # they also have volume fractions of the phase, but these are in images\n Configuration(\n name=\"matrix\",\n struct=CrysStruct.FCC,\n tags={ConfigTag.Matrix},\n source=\"We know it's FCC because: 'Figure 1b shows the XRD patterns of the P/M CoCrFeNiMo0.2 HEA, where the alloy shows clearly a single FCC structure.'\",\n measurements=[\n CompMeasurement(\n Composition({\"Mo\": 6.18, \"Cr\": 22.08, \"Fe\": 25.71, \"Co\": 24.51, \"Ni\": 21.52}),\n method=MeasurementMethod.EDS,\n source=\"Composition from Table 1. We know this is the matrix (EDS spot 2) because it has low Mo (6.18%) and roughly equal Co/Cr/Fe/Ni, which matches the overall alloy rather than a precipitate.\",\n ),\n ],\n ),\n Configuration(\n name=\"sigma phase\",\n tags={ConfigTag.Precipitate},\n within=\"matrix\",\n measurements=[\n CompMeasurement(\n Composition({\"Mo\": 34.56, \"Cr\": 18.03, \"Fe\": 20.38, \"Co\": 17.53, \"Ni\": 9.49}),\n method=MeasurementMethod.EDS,\n source=\"Composition from Table 1. We know this is the \u03c3 phase (EDS spot 1) because: 'The EDS analysis results in Table 1 clearly indicates that the chemical composition of the precipitates contains a high concentration of Mo, which is very close to the \u03c3 phase reported by Shun et al.' and 'The selected electron diffraction pattern ... also confirms that the white precipitates are \u03c3 phase.'\",\n ),\n Measurement(\n kind=PhaseMeasurementKind.phase_size,\n value=\"<0.5\",\n unit=Micrometer,\n source=\"the size of the \u03c3 phase is less than 0.5 \u00b5m as the annealing temperature at 700\u25e6C\",\n ),\n ],\n ),\n ],\n )", + "start_line": 65, + "end_line": 102 }, { "id": "doi_10_3390__e21050448/exp:0/material:2", @@ -8711,7 +10685,10 @@ "unit": "percent", "source": "Abstract" } - ] + ], + "source_code": "Material(\n process=\"as_extruded->annealing[Temp=800]_72hrs\",\n measurements=[\n CompMeasurement(\"CoCrFeNiMo0.2\", method=MeasurementMethod.Balance),\n Configuration(\n name=\"sigma phase\",\n measurements=[\n # you can also see this volume fraction stuff in figure 5 b)\n Measurement(\n kind=PhaseMeasurementKind.volume_fraction,\n value=\"~14\",\n unit=percent,\n description=\"At 800 \u25e6C, the volume fraction of the precipitates gradually increases as the annealing time is prolonged, eventually reaching a saturated stable value about 14%\",\n ),\n # The paper says \"As shown in Figure 2b, white areas generally appear at the grain boundaries\n # and the size is less than 1 \u03bcm.\" However, we can't confidently attribute this size to \u03c3 phase\n # from text alone. The \u03c3 phase is identified via TEM/EDS on the 700\u00b0C sample (Table 1, Figure 3),\n # and \"Figure 3 also confirms that the white precipitates are \u03c3 phase\" refers to a TEM image.\n # \"White\" in TEM vs SEM can mean different things depending on imaging mode, so we can't\n # assume \"white areas\" in the SEM Figure 2b are the same as \"white precipitates\" in TEM Figure 3.\n # Measurement(\n # kind=PhaseMeasurementKind.phase_size,\n # value=\"<1\",\n # unit=Micrometer,\n # source=\"As shown in Figure 2b, white areas generally appear at the grain boundaries and the size is less than 1 \u03bcm.\",\n # ),\n ],\n ),\n Measurement(kind=AlloyMeasurementKind.ultimate_tensile_strength, value=\"~850\", unit=MegaPascal, source=\"Abstract\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"elongation\"), value=\"~30\", unit=percent, source=\"Abstract\"),\n ],\n )", + "start_line": 103, + "end_line": 134 }, { "id": "doi_10_3390__e21050448/exp:0/material:3", @@ -8724,7 +10701,10 @@ "formula": "Cr1 Fe1 Co1 Ni1 Mo0.2", "method": "balance" } - ] + ], + "source_code": "Material(\n process=\"as_extruded->annealing[Temp=900]_72hrs\",\n measurements=[\n CompMeasurement(\"CoCrFeNiMo0.2\", method=MeasurementMethod.Balance),\n ],\n )", + "start_line": 135, + "end_line": 140 }, { "id": "doi_10_3390__e21050448/exp:0/material:4", @@ -8773,7 +10753,10 @@ "unit": "percent", "source": "Since the annealing temperature increases up to 1000 \u25e6C, the yield strength and ultimate tensile strength is significantly decreased, while the plasticity is correspondingly increased to as high as 65%" } - ] + ], + "source_code": "Material(\n process=\"as_extruded->annealing[Temp=1000]_72hrs\",\n measurements=[\n CompMeasurement(\"CoCrFeNiMo0.2\", method=MeasurementMethod.Balance),\n # they also have volume fractions of the phase, but these are in images\n Configuration(\n name=\"sigma phase\",\n measurements=[\n Measurement(\n kind=PhaseMeasurementKind.phase_size,\n value=3.7,\n unit=Micrometer,\n source=\"When the annealing temperature increases to 1000 \u00b0C, the size of the \u03c3 phase reaches to 3.7 \u00b5m.\",\n ),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.phase_size,\n unit=Micrometer,\n source=\"As the annealing temperature increased up to 1000\u25e6C, the size of these white areas is rapidly coarsened to 3\u20135 microns.\",\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=3),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=5),\n ],\n ),\n ],\n ),\n Measurement(\n kind=normalize(val=AlloyMeasurementKind.fracture_strain_tension, val_in_paper=\"plasticity\"),\n value=\"~65\",\n unit=percent,\n source=\"Since the annealing temperature increases up to 1000 \u25e6C, the yield strength and ultimate tensile strength is significantly decreased, while the plasticity is correspondingly increased to as high as 65%\",\n ),\n ],\n )", + "start_line": 141, + "end_line": 173 } ], "edges": [ @@ -8789,7 +10772,10 @@ { "kind": "Vacuum Furnace", "description": "Was a vacuum furnace", - "source": "2. Experimental Procedures" + "source": "2. Experimental Procedures", + "inputs": [ + "elements" + ] }, { "kind": "Gas Atomization", @@ -8803,7 +10789,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.VacuumFurnace, description=\"Was a vacuum furnace\", source=\"2. Experimental Procedures\"),\n ProcessEvent(kind=ProcessKind.GasAtomization, description=\"After melting, the melt dropped through a ceramic tube and was atomized in high purity Ar with an atomization pressure was 4 MPa.\", source=\"2. Experimental Procedures\"),\n ProcessEvent(\n kind=ProcessKind.HotExtrusion,\n description=\"The dimensions of the stainless-steel mold used in the hot extrusion process is d60 \u00d7 150 mm^3. The powder is first loaded into a stainless steel can, pre-heated at 1473 K for 60 min, and sealed under vacuum. The enclosed powders were immediately subjected to hot extrusion with an extrusion ratio of 6 and a velocity of ~10 mm/s on a 2500 T hydraulic press.\",\n source=\"2. Experimental Procedures\",\n ),\n ]", + "start_line": 38, + "end_line": 46 }, { "source": "doi_10_3390__e21050448/exp:0/material:0", @@ -8820,7 +10809,13 @@ "kind": "Annealing", "temperature": "700 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures" + "source": "2. Experimental Procedures", + "inputs": [ + "as_extruded", + "as_extruded", + "as_extruded", + "as_extruded" + ] }, { "kind": "Water Quenching", @@ -8828,7 +10823,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=72, unit=Hour), source=\"2. Experimental Procedures\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Experimental Procedures\"),\n ]", + "start_line": 47, + "end_line": 50 }, { "source": "doi_10_3390__e21050448/exp:0/material:0", @@ -8845,7 +10843,13 @@ "kind": "Annealing", "temperature": "800 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures" + "source": "2. Experimental Procedures", + "inputs": [ + "as_extruded", + "as_extruded", + "as_extruded", + "as_extruded" + ] }, { "kind": "Water Quenching", @@ -8853,7 +10857,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=72, unit=Hour), source=\"2. Experimental Procedures\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Experimental Procedures\"),\n ]", + "start_line": 47, + "end_line": 50 }, { "source": "doi_10_3390__e21050448/exp:0/material:0", @@ -8870,7 +10877,13 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures" + "source": "2. Experimental Procedures", + "inputs": [ + "as_extruded", + "as_extruded", + "as_extruded", + "as_extruded" + ] }, { "kind": "Water Quenching", @@ -8878,7 +10891,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=72, unit=Hour), source=\"2. Experimental Procedures\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Experimental Procedures\"),\n ]", + "start_line": 47, + "end_line": 50 }, { "source": "doi_10_3390__e21050448/exp:0/material:0", @@ -8895,7 +10911,13 @@ "kind": "Annealing", "temperature": "1000 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures" + "source": "2. Experimental Procedures", + "inputs": [ + "as_extruded", + "as_extruded", + "as_extruded", + "as_extruded" + ] }, { "kind": "Water Quenching", @@ -8903,7 +10925,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=\"[Temp]\", unit=Celsius), duration=Quantity(value=72, unit=Hour), source=\"2. Experimental Procedures\"),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Experimental Procedures\"),\n ]", + "start_line": 47, + "end_line": 50 } ], "descriptions": [ @@ -8923,28 +10948,34 @@ { "nodes": [ { - "id": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", + "id": "doi_10_3390__ma12071136/exp:0/raw:elements", "type": "raw_material", - "label": "master_alloys", - "name": "master_alloys", + "label": "elements", + "name": "elements", "materials": { - "master_alloys": { + "elements": { "kind": "RawMaterialKind.Unspecified", - "description": "Al-Si master alloys with 50 wt.% Si" + "description": "purity > 99.9%" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"purity > 99.9%\", source=\"2.3 Experiment Process\")", + "start_line": 25, + "end_line": 25 }, { - "id": "doi_10_3390__ma12071136/exp:0/raw:elements", + "id": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", "type": "raw_material", - "label": "elements", - "name": "elements", + "label": "master_alloys", + "name": "master_alloys", "materials": { - "elements": { + "master_alloys": { "kind": "RawMaterialKind.Unspecified", - "description": "purity > 99.9%" + "description": "Al-Si master alloys with 50 wt.% Si" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Unspecified, description=\"Al-Si master alloys with 50 wt.% Si\", source=\"2.3 Experiment Process\")", + "start_line": 26, + "end_line": 26 }, { "id": "doi_10_3390__ma12071136/exp:0/material:0", @@ -9045,7 +11076,10 @@ "description": "from XRD", "source": "The XRD pattern indicates that the near equiatomic Al19.9Li30Mg35Si10Ca5Y0.1 ULW-CCA contains HCP solid solution and intermetallic (IM) phases (Figure 2a)" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\n \"Al19.9Li30Mg35Si10Ca5Y0.1\"\n ), # maybe EDS? Note: their EDS cannot detect Li: \"Note that Li could not be detected by EDS.\" So maybe they just did a subtraction and assumed that all remaining elements are Li? (not sure if the machine allows this flexibility if they used EDS to measure composition)\n Measurement(kind=AlloyMeasurementKind.fracture_strength_compression, value=710, unit=MegaPascal, uncertainty=26),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=556, unit=MegaPascal, uncertainty=20),\n # NOTE: The body text says region B=Mg2Si and D=CaMgSi, but Table 3 says B=CaMgSi and D=Mg2Si.\n # \"Region B and region C are identified as the Mg2Si phase and the unknown phase, respectively. Furthermore, D is deduced to be the CaMgSi phase comprised of 30.5 at.% Mg, 39.4 at.% Si, and 30.1 at.% Ca. \"\"\n # This is a typo, the body text mixed regions B and D up (composition matches the wrong region)\n # Table 3 is most likely more correct.\n Configuration(\n name=\"Region A: LiMgAl2 phase (al enriched)\",\n measurements=[CompMeasurement({\"Al\": 86.6, \"Mg\": 13.4}, method=MeasurementMethod.EDS), Measurement(kind=PhaseMeasurementKind.volume_fraction, value=\"~31\", unit=percent)],\n source=\"Table 3. The phase in this region is identified as the LiMgAl2 phase and its volume fraction is approximately 31%.\",\n ),\n Configuration(name=\"Region D: Mg2Si\", measurements=[CompMeasurement({\"Mg\": 61.1, \"Si\": 38.9}, method=MeasurementMethod.EDS)], source=\"Table 3\"),\n Configuration(name=\"Region C: unknown phase\", measurements=[CompMeasurement({\"Al\": 51.7, \"Mg\": 28.9, \"Si\": 11.9, \"Ca\": 7.5}, method=MeasurementMethod.EDS)], source=\"Table 3\"),\n Configuration(name=\"Region B: CaMgSi phase\", measurements=[CompMeasurement({\"Mg\": 30.5, \"Si\": 39.4, \"Ca\": 30.1}, method=MeasurementMethod.EDS)], source=\"Table 3\"),\n # Not sure if it's compression??? I think it is because the next sentence is \"By adjusting the composition of the CCAs, the Al15Li35Mg48Ca1Si1 ULW-CCA with the good compressive plasticity\"\n Measurement(\n kind=AlloyMeasurementKind.ultimate_strain_compression, value=\"~2.6\", unit=percent\n ), # to be fair I don't know if they mean ultimate strain (peak strain) or fracture strain. I think it's ultimate strain since they keep saying plastic, but I can't for sure verify it's not fracture strain (from looking at the graph and the numbers they give me)\n Measurement(kind=AlloyMeasurementKind.density, value=1.70, unit=gram_per_cm3, uncertainty=0.05, source=\"Table 2\"),\n GlobalLatticeParam(struct=CrysStruct.HCP, description=\"from XRD\", source=\"The XRD pattern indicates that the near equiatomic Al19.9Li30Mg35Si10Ca5Y0.1 ULW-CCA contains HCP solid solution and intermetallic (IM) phases (Figure 2a)\"),\n # other global intermetallic phases are present, but they are ambiguous\n ],\n )", + "start_line": 56, + "end_line": 83 }, { "id": "doi_10_3390__ma12071136/exp:0/material:1", @@ -9151,7 +11185,10 @@ "uncertainty": 0.05, "source": "Table 2" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al15Li35Mg35Ca10Si5\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strength_compression, value=516, unit=MegaPascal, uncertainty=33),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=418, unit=MegaPascal, uncertainty=29),\n Configuration(\n name=\"Region A: beta-Mg (BCC) phase\",\n struct=CrysStruct.BCC,\n tags={ConfigTag.Matrix},\n description=\"dark grey matrix\",\n measurements=[\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.volume_fraction,\n unit=percent,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=45),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=57),\n ],\n ),\n CompMeasurement({\"Al\": 22.9, \"Mg\": 77.1}, method=MeasurementMethod.EDS, source=\"Table 3\"),\n ],\n ),\n Configuration(name=\"Region B: Al2Ca phase\", description=\"region B in figure 4b\", measurements=[CompMeasurement({\"Al\": 57.6, \"Mg\": 11.2, \"Ca\": 31.1}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Configuration(name=\"Region C: HCP phase\", struct=CrysStruct.HCP, description=\"has a bulk shape\", measurements=[CompMeasurement({\"Al\": 45.4, \"Mg\": 41.3, \"Si\": 13.3}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Configuration(name=\"Region D: CaMgSi phase\", description=\"reticulate-like phase\", measurements=[CompMeasurement({\"Mg\": 38.1, \"Si\": 28.3, \"Ca\": 33.6}, method=MeasurementMethod.EDS, source=\"Table 3\")]),\n Measurement(kind=AlloyMeasurementKind.density, value=1.57, unit=gram_per_cm3, uncertainty=0.05, source=\"Table 2\"),\n ],\n )", + "start_line": 84, + "end_line": 111 }, { "id": "doi_10_3390__ma12071136/exp:0/material:2", @@ -9274,7 +11311,10 @@ "uncertainty": 0.05, "source": "Table 2" } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al15Li35Mg48Ca1Si1\"),\n Measurement(kind=AlloyMeasurementKind.fracture_strength_compression, value=596, unit=MegaPascal, uncertainty=27),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=360, unit=MegaPascal, uncertainty=16),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_strain_compression, val_in_paper=\"compressive_ductility\"), value=9.5, unit=percent, uncertainty=0.8),\n Configuration(\n name=\"Region A: Matrix\",\n tags={ConfigTag.Matrix},\n # This is BCC structure since Region A is the matrix, and the below text says it's BCC structure:\n # \"In addition, some submicron-sized particles with the HCP structure (Figure 5b,c) are embedded in the BCC structure matrix and are surrounded by the lath-like Al-Li and Li2MgAl phases (Figure 5c)\"\n struct=CrysStruct.BCC,\n measurements=[CompMeasurement({\"Al\": 18, \"Mg\": 82}, method=MeasurementMethod.EDS, source=\"Table 3\")],\n ),\n Configuration(\n name=\"Region B: AlLi Phase (lath-like light)\",\n tags={ConfigTag.Lath},\n measurements=[\n CompMeasurement({\"Al\": 91.2, \"Mg\": 8.8}, method=MeasurementMethod.EDS, source=\"Table 3\"),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.phase_size,\n unit=Micrometer,\n source=\"The size of the AlLi phase is 5\u201320 \u00b5m\",\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=5),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=20),\n ],\n ),\n ],\n ),\n Configuration(\n name=\"Region C: submicron-size particles\",\n tags={ConfigTag.Precipitate},\n within=\"Region A: Matrix\",\n # This is HCP structure C are submicron-sized particles, and the below text says it's HCPstructure:\n # \"In addition, some submicron-sized particles with the HCP structure (Figure 5b,c) are embedded in the BCC structure matrix and are surrounded by the lath-like Al-Li and Li2MgAl phases (Figure 5c)\"\n struct=CrysStruct.HCP,\n description=\"uncertain phase composition\",\n measurements=[CompMeasurement({\"Al\": 12.4, \"Mg\": 87.6}, method=MeasurementMethod.EDS, source=\"Table 3\")],\n ),\n # I feel like the authors made a mistake with the composition here. it sums to 101.0%\n Configuration(name=\"Region D: Li2MgAl Phase (lath-like dark)\", tags={ConfigTag.Lath}, description=\"lath-like dark\", measurements=[CompMeasurement({\"Al\": 55.3, \"Mg\": 45.7}, method=MeasurementMethod.EDS, validate_composition=False, source=\"Table 3\")]),\n Measurement(kind=AlloyMeasurementKind.density, value=1.52, unit=gram_per_cm3, uncertainty=0.05, source=\"Table 2\"),\n ],\n )", + "start_line": 112, + "end_line": 156 }, { "id": "doi_10_3390__ma12071136/exp:0/material:3", @@ -9386,7 +11426,10 @@ } ] } - ] + ], + "source_code": "Material(\n # NOTE: The paper has a typo in the XRD section where it says \"Al15Li35Mg48Ca0.5Si1.5\"\n # instead of \"Al15Li38Mg45Ca0.5Si1.5\" (the Li/Mg subscripts are swapped with the Ca1Si1 alloy).\n # The correct composition is from Table 2.\n # Full quote: \"The phase structures of the Al15Li38Mg45Ca1Si1, Al15Li35Mg48Ca0.5Si1.5,\n # and Al15Li39Mg45Ca0.5Si0.5 ULW-CCAs are almost the same (Figure 2c\u2013e). The dominant phase of\n # these three alloys is a BCC solid solution. Additionally, the AlLi and Li2MgAl phases can also\n # be easily identified in these three ULW-CCAs.\"\n measurements=[\n CompMeasurement(\"Al15Li38Mg45Ca0.5Si1.5\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=342, unit=MegaPascal, uncertainty=19),\n Measurement(kind=AlloyMeasurementKind.density, value=1.50, unit=gram_per_cm3, uncertainty=0.05, source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_strain_compression, val_in_paper=\"compressive_ductility\"), value=\">45\", unit=percent, source=\"and a high compressive ductility of >45%\"),\n Configuration(\n name=\"Region A: BCC solid solution (beta-Mg)\", # The paper doesn't say that this is a matrix. It's understandable - looking at the figure, it doens't look like the background phase\n struct=CrysStruct.BCC,\n tags={ConfigTag.Dendrite},\n description=\"dark region - region A in figure 4c. Displays a dendritic structure divided by net-like interdendritic structure.\",\n measurements=[\n CompMeasurement({\"Al\": 12.2, \"Mg\": 87.8}, method=MeasurementMethod.EDS, source=\"Table 3\"),\n ],\n source=\"The dark region (region A in Figure 4c) corresponds to the \u03b2-Mg BCC solid solution phase. Both the Al15Li38Mg45Ca0.5Si1.5 and Al15Li39Mg45Ca0.5Si0.5 ULW-CCAs display a dendritic structure, which is divided by the net-like interdendritic structure.\",\n ),\n Configuration(\n name=\"Region B: AlLi phase\",\n tags={ConfigTag.Lath},\n description=\"lath-like morphology - region B in figure 4c\",\n measurements=[\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.phase_size,\n unit=Micrometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=1),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=15),\n ],\n ),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.volume_fraction,\n unit=percent,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=28),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=32),\n ],\n ),\n CompMeasurement({\"Al\": 94.3, \"Mg\": 5.7}, method=MeasurementMethod.EDS, source=\"Table 3\"),\n ],\n source=\"The lath-like morphology (region B in Figure 4c) is the AlLi phase with an average size of 1\u201315 \u00b5m, and the volume fraction of 28\u201332%.\",\n ),\n Configuration(\n name=\"Region C: HCP solid solution (alpha-Mg)\",\n struct=CrysStruct.HCP,\n measurements=[\n CompMeasurement({\"Al\": 11.6, \"Mg\": 88.4}, method=MeasurementMethod.EDS, source=\"Table 3\"),\n ],\n source=\"Region C in Figure 4c could be the HCP solid solution according to the EDS results (Table 3)\",\n ),\n # Measurement(kind=AlloyMeasurementKind.plasticity, value=45, unit=percent), # I don't think they give an actual property for plasticity. they just threw this number\n ],\n )", + "start_line": 157, + "end_line": 215 }, { "id": "doi_10_3390__ma12071136/exp:0/material:4", @@ -9498,7 +11541,10 @@ } ] } - ] + ], + "source_code": "Material(\n measurements=[\n CompMeasurement(\"Al15Li39Mg45Ca0.5Si0.5\"),\n Measurement(kind=AlloyMeasurementKind.yield_strength_compression, value=300, unit=MegaPascal, uncertainty=33),\n Measurement(kind=AlloyMeasurementKind.density, value=1.46, unit=gram_per_cm3, uncertainty=0.05, source=\"Table 2\"),\n Measurement(kind=normalize(val=AlloyMeasurementKind.ultimate_strain_compression, val_in_paper=\"compressive_ductility\"), value=\">60\", unit=percent, source=\"and a good compressive ductility of >60%\"),\n # note: they do say: The phase structures of the Al15Li38Mg45Ca1Si1, Al15Li35Mg48Ca0.5Si1.5, and Al15Li39Mg45Ca0.5Si0.5 ULW-CCAs are almost the same (Figure 2c\u2013e). The dominant phase of these three alloys is a BCC solid solution.\n # but I didn't mention it. I think it's just simpler if we just use the table 3 data.\n # Maybe we need a new Phase type: one to specify the kinds of phase? bc rn, they don't match up the phase they see in EDS with XRD.\n Configuration(\n name=\"Region A: Matrix\",\n tags={ConfigTag.Matrix, ConfigTag.Dendrite},\n description=\"It consists of a BCC Solid Solution AND Li2MgAl phase. Displays a dendritic structure divided by net-like interdendritic structure.\",\n source=\"The matrix, i.e. Region A in figure 4d, consists of the BCC solid solution and the Li2MgAl phase. Both the Al15Li38Mg45Ca0.5Si1.5 and Al15Li39Mg45Ca0.5Si0.5 ULW-CCAs display a dendritic structure, which is divided by the net-like interdendritic structure.\",\n measurements=[CompMeasurement({\"Al\": 15.7, \"Mg\": 84.3}, method=MeasurementMethod.EDS, source=\"Table 3\")],\n ),\n Configuration(\n name=\"Region A: Li2MgAl phase\",\n within=\"Region A: Matrix\",\n source=\"The matrix, i.e. Region A in figure 4d, consists of the BCC solid solution and the Li2MgAl phase.\",\n measurements=[CompMeasurement({\"Al\": 15.7, \"Mg\": 84.3}, method=MeasurementMethod.EDS, source=\"Table 3\")],\n ),\n Configuration(\n name=\"Region A: BCC Solid Solution\",\n struct=CrysStruct.BCC,\n within=\"Region A: Matrix\",\n source=\"The matrix, i.e. Region A in figure 4d, consists of the BCC solid solution and the Li2MgAl phase.\",\n measurements=[CompMeasurement({\"Al\": 15.7, \"Mg\": 84.3}, method=MeasurementMethod.EDS, source=\"Table 3\")],\n ),\n Configuration(\n name=\"Region B: AlLi phase\",\n tags={ConfigTag.Lath},\n description=\"lath-like phase (region B in Figure 4d)\",\n measurements=[\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.volume_fraction,\n unit=percent,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.lower, value=25),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=28),\n ],\n ),\n CompMeasurement({\"Al\": 93.2, \"Mg\": 6.8}, method=MeasurementMethod.EDS, source=\"Table 3\"),\n ],\n ),\n # Measurement(kind=AlloyMeasurementKind.plasticity, value=60, unit=percent), # I don't think they give an actual property for plasticity. they just threw this number\n ],\n )", + "start_line": 216, + "end_line": 263 } ], "edges": [ @@ -9514,7 +11560,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9541,7 +11599,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", @@ -9555,7 +11616,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9582,7 +11655,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:elements", @@ -9596,7 +11672,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9623,7 +11711,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", @@ -9637,7 +11728,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9664,7 +11767,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:elements", @@ -9678,7 +11784,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9705,7 +11823,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", @@ -9719,7 +11840,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9746,7 +11879,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:elements", @@ -9760,7 +11896,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9787,7 +11935,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", @@ -9801,7 +11952,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9828,7 +11991,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:elements", @@ -9842,7 +12008,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9869,7 +12047,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 }, { "source": "doi_10_3390__ma12071136/exp:0/raw:master_alloys", @@ -9883,7 +12064,19 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process" + "source": "2.3 Experiment Process", + "inputs": [ + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys", + "elements", + "master_alloys" + ] }, { "kind": "Casting Unspecified", @@ -9910,7 +12103,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, description=\"induction melting in an argon atmosphere and a graphite crucible.\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.CastingUnspecified, description=\"The melted alloys were then cast into a copper mold to form cylindrical rods with a diameter of 10 mm\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The rods were then cut with a diamond saw\", source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Grinding, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Polishing, source=\"2.3 Experiment Process\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"2.5% nitric acid\u2013methanol\", source=\"2.3 Experiment Process\"),\n ]", + "start_line": 28, + "end_line": 35 } ], "descriptions": [ @@ -9944,7 +12140,10 @@ "kind": "RawMaterialKind.Powder", "description": "purity 99.9% from Vilory new materials Co. Ltd, Xuzhou, China. These were already gas atomized. These powders are under 200 mesh in size" } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Powder, description=\"purity 99.9% from Vilory new materials Co. Ltd, Xuzhou, China. These were already gas atomized. These powders are under 200 mesh in size\", source=\"2 Experimental\")", + "start_line": 31, + "end_line": 31 }, { "id": "doi_10_3390__met9030351/exp:0/material:0", @@ -9995,7 +12194,10 @@ "unit": "HV", "description": "at the center of the sample" } - ] + ], + "source_code": "Material(\n process=\"elements->milling->SPS[Pressure=30]->grind_and_polish\",\n measurements=[\n CompMeasurement(\"Fe24.1Co24.1Cr24.1Ni24.1Mo3.6\"),\n Configuration(\n name=\"sigma phase\",\n description=\"tetragonal structure\",\n # 110,200 planes \"However, the peaks corresponding to the {110} and {200} planes could be identified, indicating the formation of the \u03c3 phase structure.\"\"\n measurements=[CompMeasurement({\"Cr\": 50.8, \"Fe\": 19.1, \"Co\": 17.3, \"Ni\": 10.1, \"Mo\": 2.6}, method=MeasurementMethod.EDS)],\n source=\"Table 1\",\n ),\n # This composition sums to 97.9. which means they're not reporting impurities I think\n Configuration(struct=CrysStruct.FCC, measurements=[CompMeasurement({\"Cr\": 20.0, \"Fe\": 23.9, \"Co\": 24.8, \"Ni\": 22.5, \"Mo\": 6.7}, method=MeasurementMethod.EDS, validate_composition=False)], source=\"Table 1\"), # 111 XRD peak\n # this is transverse (3\u2011point bending) strength. Use just a string since bending is very misleading. it also depends on the shape of the bar. If your index cares about bars, consider making a new measurementClass for this\n Measurement(kind=normalize(val=\"transverse_strength\", val_in_paper=\"bending_strength\"), value=779, unit=MegaPascal),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=\"~210\", unit=HV, description=\"at the center of the sample\"),\n ],\n )", + "start_line": 85, + "end_line": 102 }, { "id": "doi_10_3390__met9030351/exp:0/material:1", @@ -10015,7 +12217,10 @@ "unit": "HV", "description": "at the center of the sample" } - ] + ], + "source_code": "Material(\n process=\"elements->milling->SPS[Pressure=35]->grind_and_polish\",\n measurements=[\n CompMeasurement(\"Fe24.1Co24.1Cr24.1Ni24.1Mo3.6\"),\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=\"~210\", unit=HV, description=\"at the center of the sample\"),\n ],\n )", + "start_line": 103, + "end_line": 109 }, { "id": "doi_10_3390__met9030351/exp:0/material:2", @@ -10049,7 +12254,10 @@ "unit": "HV", "description": "at the center of the sample" } - ] + ], + "source_code": "Material(\n process=\"elements->milling->SPS[Pressure=40]->grind_and_polish\",\n measurements=[\n CompMeasurement(\"Fe24.1Co24.1Cr24.1Ni24.1Mo3.6\"),\n Measurement(kind=\"transverse_strength\", value=1004, unit=MegaPascal, source=\"the sample has the highest transverse strength of 1004 MPa and the highest fracture strain of 2.3%.\"),\n Measurement(\n kind=\"fracture_strain_bending\", value=2.3, unit=percent, source=\"the sample has the highest transverse strength of 1004 MPa and the highest fracture strain of 2.3%.\"\n ), # this is not fracture_strain tension/compression since it's kinda weird. They really should define a deflection angle or explain this better\n Measurement(kind=AlloyMeasurementKind.vickers_hardness, value=\"~210\", unit=HV, description=\"at the center of the sample\"),\n ],\n )", + "start_line": 110, + "end_line": 120 }, { "id": "doi_10_3390__met9030351/exp:0/material:3", @@ -10078,7 +12286,10 @@ "description": "First exothermic peak from DSC, representing the beginning of the sintering reaction and formation of the FCC phase", "source": "3.2 Phase Identification" } - ] + ], + "source_code": "Material(\n name=\"dsc_characterization\",\n process=\"elements->milling\",\n measurements=[\n CompMeasurement(\"Fe24.1Co24.1Cr24.1Ni24.1Mo3.6\"),\n Measurement(kind=\"phase_transition_temperature\", value=1260, unit=Celsius, description=\"FCC to \u03c3 phase transition temperature, measured by DSC\", source=\"3.2 Phase Identification\"),\n Measurement(kind=\"sintering_onset_temperature\", value=960, unit=Celsius, description=\"First exothermic peak from DSC, representing the beginning of the sintering reaction and formation of the FCC phase\", source=\"3.2 Phase Identification\"),\n ],\n )", + "start_line": 126, + "end_line": 134 } ], "edges": [ @@ -10095,7 +12306,13 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -10130,7 +12347,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.PlanetaryMilling,\n duration=Quantity(value=20, unit=Hour),\n description=\"The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min\",\n source=\"2. Experimental\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=1150, unit=Celsius),\n duration=Quantity(value=480, unit=Second),\n description=\"The milled powders were then added into a graphite die 40 mm in diameter and consolidated using an HPD 25/3 SPS equipment under reduced pressure (10^{-3} Pa). The pressure was [Pressure] MPa. After a holding time of 480s, the sintered billets were cooled down to room temperature in the furnace.\",\n source=\"2. Experimental\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Grinding,\n description=\"Samples were prepared by mechanical grinding using 1200 to 4000 grit SiC papers\",\n source=\"2. Experimental\",\n ),\n ProcessEvent(\n kind=ProcessKind.Polishing,\n description=\"final size: \u03d5 40 \u00d7 2mm^3\",\n source=\"2. Experimental\",\n ),\n ]", + "start_line": 54, + "end_line": 82 }, { "source": "doi_10_3390__met9030351/exp:0/raw:elements", @@ -10145,7 +12365,13 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -10180,7 +12406,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.PlanetaryMilling,\n duration=Quantity(value=20, unit=Hour),\n description=\"The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min\",\n source=\"2. Experimental\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=1150, unit=Celsius),\n duration=Quantity(value=480, unit=Second),\n description=\"The milled powders were then added into a graphite die 40 mm in diameter and consolidated using an HPD 25/3 SPS equipment under reduced pressure (10^{-3} Pa). The pressure was [Pressure] MPa. After a holding time of 480s, the sintered billets were cooled down to room temperature in the furnace.\",\n source=\"2. Experimental\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Grinding,\n description=\"Samples were prepared by mechanical grinding using 1200 to 4000 grit SiC papers\",\n source=\"2. Experimental\",\n ),\n ProcessEvent(\n kind=ProcessKind.Polishing,\n description=\"final size: \u03d5 40 \u00d7 2mm^3\",\n source=\"2. Experimental\",\n ),\n ]", + "start_line": 54, + "end_line": 82 }, { "source": "doi_10_3390__met9030351/exp:0/raw:elements", @@ -10195,7 +12424,13 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] }, @@ -10230,7 +12465,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.PlanetaryMilling,\n duration=Quantity(value=20, unit=Hour),\n description=\"The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min\",\n source=\"2. Experimental\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.SparkPlasmaSintering,\n temperature=Quantity(value=1150, unit=Celsius),\n duration=Quantity(value=480, unit=Second),\n description=\"The milled powders were then added into a graphite die 40 mm in diameter and consolidated using an HPD 25/3 SPS equipment under reduced pressure (10^{-3} Pa). The pressure was [Pressure] MPa. After a holding time of 480s, the sintered billets were cooled down to room temperature in the furnace.\",\n source=\"2. Experimental\",\n ),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.Grinding,\n description=\"Samples were prepared by mechanical grinding using 1200 to 4000 grit SiC papers\",\n source=\"2. Experimental\",\n ),\n ProcessEvent(\n kind=ProcessKind.Polishing,\n description=\"final size: \u03d5 40 \u00d7 2mm^3\",\n source=\"2. Experimental\",\n ),\n ]", + "start_line": 54, + "end_line": 82 }, { "source": "doi_10_3390__met9030351/exp:0/raw:elements", @@ -10245,11 +12483,20 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental" + "source": "2. Experimental", + "inputs": [ + "elements", + "elements", + "elements", + "elements" + ] } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.PlanetaryMilling,\n duration=Quantity(value=20, unit=Hour),\n description=\"The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min\",\n source=\"2. Experimental\",\n ),\n ]", + "start_line": 54, + "end_line": 61 } ], "descriptions": [ @@ -10292,7 +12539,10 @@ "kind": "RawMaterialKind.Ingot", "description": "They started with an IN718 alloy with an initial height of 150 mm and a diameter of 100 mm " } - } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Ingot, description=\"They started with an IN718 alloy with an initial height of 150 mm and a diameter of 100 mm \", source=\"2 Experimental\")", + "start_line": 23, + "end_line": 23 }, { "id": "doi_10_3390__met10111466/exp:0/material:0", @@ -10352,7 +12602,10 @@ "unit": "percent", "source": "3.1: The second CSL in importance in Figure 7a is the \u03a39 boundaries with a presence of approximately 2%" } - ] + ], + "source_code": "Material(\n process=\"workpiece->press->heat_treatment\",\n name=\"delta_processed_before_compression\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n Measurement(kind=PhaseMeasurementKind.grain_size, value=39.5, unit=Micrometer, source=\"3.1. Grains and Grain Boundaries Behavior of the \u03b3-Phase with Delta-Processing\"),\n # The paper used EBSD to classify each grain by how deformed it is:\n # - \"recrystallized\" = fresh, strain-free grains (formed after heat treatment)\n # - \"sub-structured\" = grains with some internal misorientation (partial recovery)\n # - \"deformed\" = heavily strained grains with lots of internal misorientation\n # Before compression, the delta-processing heat treatment left the sample almost\n # fully recrystallized (95%), which makes sense since it was solution-treated and aged\n # but not yet mechanically deformed. After compression, the fractions shift dramatically\n # toward deformed grains.\n # CSL sigma 3 boundaries are twin boundaries \u2014 a specific type of grain boundary where\n # the two grains are mirror images of each other. They form naturally during\n # recrystallization and annealing in FCC metals like nickel alloys.\n Configuration(\n name=\"recrystallized grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=95, unit=percent, source=\"3.1. Grains and Grain Boundaries Behavior of the \u03b3-Phase with Delta-Processing: 95% of the grains are recrystallized, 5% are sub-structured grains\"),\n ],\n ),\n Configuration(\n name=\"sub-structured grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=5, unit=percent, source=\"3.1. Grains and Grain Boundaries Behavior of the \u03b3-Phase with Delta-Processing: 95% of the grains are recrystallized, 5% are sub-structured grains\"),\n ],\n ),\n Measurement(kind=\"CSL sigma 3 boundary fraction\", value=46, unit=percent, source=\"3.1: 46% of the CSL boundaries are of the sigma 3 type (in red), i.e., annealing twins\"),\n Measurement(kind=\"CSL \u03a39 boundary fraction\", value=2, unit=percent, source=\"3.1: The second CSL in importance in Figure 7a is the \u03a39 boundaries with a presence of approximately 2%\"),\n ],\n )", + "start_line": 72, + "end_line": 104 }, { "id": "doi_10_3390__met10111466/exp:0/material:1", @@ -10381,7 +12634,10 @@ "measurement_statistic": "upper", "description": "This is an ASTM grain size of 3" } - ] + ], + "source_code": "Material(\n process=\"workpiece->press\",\n name=\"sample_a_after_press\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.mean, value=45, description=\"This is an ASTM grain size of 6\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=127, description=\"This is an ASTM grain size of 3\"),\n ],\n ),\n ],\n )", + "start_line": 105, + "end_line": 119 }, { "id": "doi_10_3390__met10111466/exp:0/material:2", @@ -10418,7 +12674,10 @@ "measurement_statistic": "upper", "description": "This is an ASTM grain size of 5" } - ] + ], + "source_code": "Material(\n process=\"workpiece->press\",\n name=\"sample_b_after_press\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.percentile, percentile=70, value=31, description=\"This is an ASTM grain size of 7\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.percentile, percentile=30, value=45, description=\"This is an ASTM grain size of 6\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=63, description=\"This is an ASTM grain size of 5\"),\n ],\n ),\n ],\n )", + "start_line": 120, + "end_line": 135 }, { "id": "doi_10_3390__met10111466/exp:0/material:3", @@ -10447,7 +12706,10 @@ "measurement_statistic": "upper", "description": "This is an ASTM grain size of 2" } - ] + ], + "source_code": "Material(\n process=\"sample_a_after_press->heat_treatment\",\n name=\"sample_a_after_heat_treatment\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.mean, value=127, description=\"This is an ASTM grain size of 3\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=180, description=\"This is an ASTM grain size of 2\"),\n ],\n ),\n ],\n )", + "start_line": 136, + "end_line": 150 }, { "id": "doi_10_3390__met10111466/exp:0/material:4", @@ -10476,7 +12738,10 @@ "measurement_statistic": "upper", "description": "This is an ASTM grain size of 3" } - ] + ], + "source_code": "Material(\n process=\"sample_b_after_press->heat_treatment\",\n name=\"sample_b_after_heat_treatment\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.mean, value=90, description=\"This is an ASTM grain size of 4\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=127, description=\"This is an ASTM grain size of 3\"),\n ],\n ),\n ],\n )", + "start_line": 151, + "end_line": 165 }, { "id": "doi_10_3390__met10111466/exp:0/material:5", @@ -10568,7 +12833,10 @@ "unit": "percent", "source": "3.1: There is a noticeable decrease in the percentage of twins sigma 3 to 3.5%" } - ] + ], + "source_code": "Material(\n process=\"sample_a_after_heat_treatment->compress_below_delta_solvus\",\n name=\"sample_a_after_compress_below_delta_solvus\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n # The microstructure is bimodal after dynamic recrystallization (DRX):\n # - The ASTM E-112 comparison method (optical, 100x) captures the remaining larger\n # un-recrystallized grain population that dominates the visual field\n # - The EBSD average measures ALL grains including the fine DRX grains that formed\n # as \"necklaces\" around the deformed grains, giving a much smaller average\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n group_name=\"ASTM E-112 optical comparison\",\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.percentile, percentile=60, value=45, description=\"ASTM grain size 6 \u2014 remaining un-recrystallized grain population\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.percentile, percentile=40, value=16, description=\"Remaining un-recrystallized grain population (ASTM number not stated in paper)\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.upper, value=63, description=\"ASTM grain size 5 (ALA) \u2014 largest grains visible\"),\n ],\n ),\n Measurement(\n kind=PhaseMeasurementKind.grain_size,\n value=10,\n unit=Micrometer,\n group_name=\"EBSD\",\n measurement_statistic=MeasurementStatistic.mean,\n description=(\n \"EBSD-measured average grain size. Much smaller than the ASTM values (45 \u03bcm) because \"\n \"EBSD captures every grain in the scan, including the many fine grains that nucleated \"\n \"at original grain boundaries via discontinuous dynamic recrystallization (DRX) during \"\n \"hot compression. The ASTM E-112 optical comparison method mainly characterizes the \"\n \"larger un-recrystallized grain population. The resulting microstructure is bimodal: \"\n \"large remnant grains with a 'necklace' of fine DRX grains around them.\"\n ),\n source=(\n \"3.1: 'after deformation, this average grain size goes down to 10\u03bcm. \"\n \"...the microstructure switches to 60% deformed grains, 20% recrystallized grains, and 20% sub-structured grains. \"\n \"...recrystallized grains (the blue ones) form a sort of necklace around deformed grains. \"\n \"Such a topology leads to assuming that the recrystallization mechanisms must be categorized as discontinuous (or classical) dynamic recrystallization...which leads to the nucleation of new grains at the initial grain boundaries'\"\n ),\n ),\n Configuration(\n name=\"deformed grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=60, unit=percent, source=\"3.1: the microstructure switches to 60% deformed grains, 20% recrystallized grains, and 20% sub-structured grains\"),\n ],\n ),\n Configuration(\n name=\"recrystallized grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=20, unit=percent, source=\"3.1: the microstructure switches to 60% deformed grains, 20% recrystallized grains, and 20% sub-structured grains\"),\n ],\n ),\n Configuration(\n name=\"sub-structured grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=20, unit=percent, source=\"3.1: the microstructure switches to 60% deformed grains, 20% recrystallized grains, and 20% sub-structured grains\"),\n ],\n ),\n Measurement(kind=\"CSL sigma 3 boundary fraction\", value=3.5, unit=percent, source=\"3.1: There is a noticeable decrease in the percentage of twins sigma 3 to 3.5%\"),\n ],\n )", + "start_line": 166, + "end_line": 227 }, { "id": "doi_10_3390__met10111466/exp:0/material:6", @@ -10696,7 +12964,10 @@ } ] } - ] + ], + "source_code": "Material(\n process=\"sample_b_after_heat_treatment->compress_above_delta_solvus\",\n name=\"sample_b_after_compress_above_delta_solvus\",\n measurements=[\n CompMeasurement(balance_composition(main_element=\"Ni\", additions={\"Cr\": 17.96, \"Fe\": 18.72, \"Nb\": 5.41, \"Al\": 0.51, \"Ti\": 1.01, \"Mo\": 2.88})),\n # The microstructure is bimodal after dynamic recrystallization (DRX):\n # - The ASTM E-112 comparison method (optical, 100x) captures the remaining larger\n # un-recrystallized grain population that dominates the visual field\n # - The EBSD average measures ALL grains including the fine DRX grains that formed\n # around deformed grains, giving a much smaller average (13 \u03bcm vs 90 \u03bcm)\n *Measurement.group_measurements(\n kind=PhaseMeasurementKind.grain_size,\n unit=Micrometer,\n group_name=\"ASTM E-112 optical comparison\",\n values=[\n CoreMeasurementValue(statistic=MeasurementStatistic.percentile, percentile=70, value=90, description=\"ASTM grain size 4 \u2014 remaining un-recrystallized grain population\"),\n CoreMeasurementValue(statistic=MeasurementStatistic.percentile, percentile=30, value=63, description=\"ASTM grain size 5 \u2014 remaining un-recrystallized grain population\"),\n ],\n ),\n Measurement(\n kind=PhaseMeasurementKind.grain_size,\n value=13,\n unit=Micrometer,\n group_name=\"EBSD\",\n measurement_statistic=MeasurementStatistic.mean,\n description=(\n \"EBSD-measured average grain size. Much smaller than the ASTM values (90 \u03bcm) because \"\n \"EBSD captures every grain in the scan, including the many fine grains that nucleated \"\n \"at original grain boundaries via discontinuous dynamic recrystallization (DRX) during \"\n \"hot compression. The ASTM E-112 optical comparison method mainly characterizes the \"\n \"larger un-recrystallized grain population. The resulting microstructure is bimodal: \"\n \"large remnant grains with a 'necklace' of fine DRX grains around them.\"\n ),\n source=(\n \"3.1: 'The average grain size of deformed Sample B is 13\u03bcm. \"\n \"...20% of grains are recrystallized, 35% sub-structured, and 45% deformed.' \"\n \"The DRX justification comes from Sample A's analysis in the same section: \"\n \"'recrystallized grains (the blue ones) form a sort of necklace around deformed grains. \"\n \"Such a topology leads to assuming that the recrystallization mechanisms must be categorized as discontinuous (or classical) dynamic recrystallization...which leads to the nucleation of new grains at the initial grain boundaries'\"\n ),\n ),\n Configuration(\n name=\"deformed grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=45, unit=percent, source=\"3.1: 20% of grains are recrystallized, 35% sub-structured, and 45% deformed\"),\n ],\n ),\n Configuration(\n name=\"recrystallized grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=20, unit=percent, source=\"3.1: 20% of grains are recrystallized, 35% sub-structured, and 45% deformed\"),\n ],\n ),\n Configuration(\n name=\"sub-structured grains\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=35, unit=percent, source=\"3.1: 20% of grains are recrystallized, 35% sub-structured, and 45% deformed\"),\n ],\n ),\n # I think this is talking about the gamma phase? Ni3Nb is an ordered and orthorhombic phase, having the space group Pmmn n\u25e659, and the following lattice constants: a = 5.114 \u00c5, b = 4.244 \u00c5, and c = 4.538 \u00c5\n Configuration(\n name=\"gamma phase\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=91.1, unit=percent),\n ],\n ),\n Configuration(\n name=\"delta phase\",\n measurements=[\n Measurement(kind=PhaseMeasurementKind.volume_fraction, value=8.95, unit=percent, description=\"This is a delta phase fraction\"),\n ],\n ),\n Configuration(\n name=\"gamma phase misorientation\",\n measurements=[\n Measurement(kind=\"average angle misorientation < 1\u00b0\", value=80, unit=percent, source=\"3.2: The highest percentage of average angle misorientation of the \u03b3-phase of 80% corresponds to angles < 1\u00b0 (blue), as illustrated in Figure 11b\"),\n ],\n ),\n Configuration(\n name=\"delta phase misorientation\",\n measurements=[\n Measurement(kind=\"average angle misorientation < 1\u00b0\", value=12, unit=percent, source=\"3.2: the \u03b4-phase presents a percentage on average of 12% angle misorientation < 1\u00b0 (red tones), as shown in Figure 11c\"),\n ],\n ),\n ],\n )", + "start_line": 228, + "end_line": 313 } ], "edges": [ @@ -10713,7 +12984,12 @@ "kind": "Press", "description": "Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}", "temperature": "980 degree_Celsius", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "workpiece", + "workpiece", + "workpiece" + ] }, { "kind": "Cut", @@ -10736,7 +13012,93 @@ "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", "temperature": "1100 degree_Celsius", "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] + }, + { + "kind": "Water Quenching", + "source": "2. Materials and Methods" + }, + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "24 hour", + "source": "2. Materials and Methods" + }, + { + "kind": "Water Quenching", + "source": "2. Materials and Methods" + } + ] + } + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.Press,\n temperature=Quantity(value=980, unit=Celsius),\n description=\"Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The piece was cut and macro-etched to obtain deformation flow patterns\", source=\"2. Materials and Methods\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"The piece was cut and macro-etched to obtain deformation flow patterns\", source=\"2. Materials and Methods\"),\n ]\n[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 33, + "end_line": 59 + }, + { + "source": "doi_10_3390__met10111466/exp:0/material:1", + "target": "doi_10_3390__met10111466/exp:0/material:0", + "label": "heat_treatment", + "process_steps": [ + { + "base_name": "heat_treatment", + "variables": {}, + "events": [ + { + "kind": "Solution Heat Treatment", + "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", + "temperature": "1100 degree_Celsius", + "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] + }, + { + "kind": "Water Quenching", + "source": "2. Materials and Methods" + }, + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "24 hour", + "source": "2. Materials and Methods" + }, + { + "kind": "Water Quenching", "source": "2. Materials and Methods" + } + ] + } + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 43, + "end_line": 59 + }, + { + "source": "doi_10_3390__met10111466/exp:0/material:2", + "target": "doi_10_3390__met10111466/exp:0/material:0", + "label": "heat_treatment", + "process_steps": [ + { + "base_name": "heat_treatment", + "variables": {}, + "events": [ + { + "kind": "Solution Heat Treatment", + "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", + "temperature": "1100 degree_Celsius", + "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] }, { "kind": "Water Quenching", @@ -10754,7 +13116,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 43, + "end_line": 59 }, { "source": "doi_10_3390__met10111466/exp:0/raw:workpiece", @@ -10769,7 +13134,12 @@ "kind": "Press", "description": "Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}", "temperature": "980 degree_Celsius", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "workpiece", + "workpiece", + "workpiece" + ] }, { "kind": "Cut", @@ -10783,7 +13153,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.Press,\n temperature=Quantity(value=980, unit=Celsius),\n description=\"Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The piece was cut and macro-etched to obtain deformation flow patterns\", source=\"2. Materials and Methods\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"The piece was cut and macro-etched to obtain deformation flow patterns\", source=\"2. Materials and Methods\"),\n ]", + "start_line": 33, + "end_line": 42 }, { "source": "doi_10_3390__met10111466/exp:0/raw:workpiece", @@ -10798,7 +13171,12 @@ "kind": "Press", "description": "Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}", "temperature": "980 degree_Celsius", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "workpiece", + "workpiece", + "workpiece" + ] }, { "kind": "Cut", @@ -10812,7 +13190,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.Press,\n temperature=Quantity(value=980, unit=Celsius),\n description=\"Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}\",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.Cut, description=\"The piece was cut and macro-etched to obtain deformation flow patterns\", source=\"2. Materials and Methods\"),\n ProcessEvent(kind=ProcessKind.Etching, description=\"The piece was cut and macro-etched to obtain deformation flow patterns\", source=\"2. Materials and Methods\"),\n ]", + "start_line": 33, + "end_line": 42 }, { "source": "doi_10_3390__met10111466/exp:0/material:1", @@ -10828,7 +13209,52 @@ "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", "temperature": "1100 degree_Celsius", "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] + }, + { + "kind": "Water Quenching", + "source": "2. Materials and Methods" + }, + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "24 hour", + "source": "2. Materials and Methods" + }, + { + "kind": "Water Quenching", "source": "2. Materials and Methods" + } + ] + } + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 43, + "end_line": 59 + }, + { + "source": "doi_10_3390__met10111466/exp:0/material:2", + "target": "doi_10_3390__met10111466/exp:0/material:3", + "label": "heat_treatment", + "process_steps": [ + { + "base_name": "heat_treatment", + "variables": {}, + "events": [ + { + "kind": "Solution Heat Treatment", + "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", + "temperature": "1100 degree_Celsius", + "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] }, { "kind": "Water Quenching", @@ -10846,7 +13272,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 43, + "end_line": 59 }, { "source": "doi_10_3390__met10111466/exp:0/material:2", @@ -10862,7 +13291,52 @@ "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", "temperature": "1100 degree_Celsius", "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] + }, + { + "kind": "Water Quenching", + "source": "2. Materials and Methods" + }, + { + "kind": "Annealing", + "temperature": "900 degree_Celsius", + "duration": "24 hour", + "source": "2. Materials and Methods" + }, + { + "kind": "Water Quenching", "source": "2. Materials and Methods" + } + ] + } + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 43, + "end_line": 59 + }, + { + "source": "doi_10_3390__met10111466/exp:0/material:1", + "target": "doi_10_3390__met10111466/exp:0/material:4", + "label": "heat_treatment", + "process_steps": [ + { + "base_name": "heat_treatment", + "variables": {}, + "events": [ + { + "kind": "Solution Heat Treatment", + "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", + "temperature": "1100 degree_Celsius", + "duration": "1 hour", + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_press", + "sample_b_after_press" + ] }, { "kind": "Water Quenching", @@ -10880,7 +13354,10 @@ } ] } - ] + ], + "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", + "start_line": 43, + "end_line": 59 }, { "source": "doi_10_3390__met10111466/exp:0/material:3", @@ -10895,11 +13372,17 @@ "kind": "Press", "description": "tested at 0.001 s^-1 and compressed to a total strain of 0.6", "temperature": "960 degree_Celsius", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "sample_a_after_heat_treatment" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Press, temperature=Quantity(value=960, unit=Celsius), description=f\"tested at 0.001 s^{-1} and compressed to a total strain of 0.6\", source=\"2. Materials and Methods\")]", + "start_line": 60, + "end_line": 60 }, { "source": "doi_10_3390__met10111466/exp:0/material:4", @@ -10914,11 +13397,17 @@ "kind": "Press", "description": "tested at 0.01 s^-1 and compressed to a total strain of 0.6", "temperature": "1020 degree_Celsius", - "source": "2. Materials and Methods" + "source": "2. Materials and Methods", + "inputs": [ + "sample_b_after_heat_treatment" + ] } ] } - ] + ], + "source_code": "[ProcessEvent(kind=ProcessKind.Press, temperature=Quantity(value=1020, unit=Celsius), description=f\"tested at 0.01 s^{-1} and compressed to a total strain of 0.6\", source=\"2. Materials and Methods\")]", + "start_line": 61, + "end_line": 61 } ], "descriptions": [ From a40e1844ddd36a07c81d6100bdd463310b3f627b Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 16:45:41 -0400 Subject: [PATCH 02/22] cleanup stale paths --- .../benchmarks/tasks/print_diff_from_run_dir.py | 2 +- .../benchmarks/tasks/zero_shot_agentic_cli.py | 14 ++++---------- scripts/paper/question_each_paper.py | 15 ++------------- 3 files changed, 7 insertions(+), 24 deletions(-) diff --git a/scripts/paper/benchmarks/tasks/print_diff_from_run_dir.py b/scripts/paper/benchmarks/tasks/print_diff_from_run_dir.py index 37095a7..9a84f65 100644 --- a/scripts/paper/benchmarks/tasks/print_diff_from_run_dir.py +++ b/scripts/paper/benchmarks/tasks/print_diff_from_run_dir.py @@ -3,7 +3,7 @@ Supports zero_shot, zero_shot_json, zero_shot_agentic_cli, and knowmat2 run directories. Usage: - uv run python src/experiment_extraction_eval/evals/litxalloy/benchmarks/eval_from_run_dir.py + uv run python scripts/paper/benchmarks/tasks/print_diff_from_run_dir.py Examples: # Agentic CLI run: diff --git a/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py b/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py index ba4e389..bdf817b 100644 --- a/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py +++ b/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py @@ -381,9 +381,7 @@ def _setup_sandbox_project( _init_dirs = [ sandbox_package_root, sandbox_package_root / "core", - sandbox_package_root / "evals", - sandbox_package_root / "evals/litxalloy", - sandbox_package_root / "evals/litxalloy/dataset", + sandbox_package_root / "litxalloy", ] for d in _init_dirs: d.mkdir(parents=True, exist_ok=True) @@ -392,15 +390,11 @@ def _setup_sandbox_project( init_file.write_text("", encoding="utf-8") if pc.include_composition_helpers: - _write_file( - sandbox_package_root / "evals/litxalloy/dataset/litxalloy.py", - _build_sandbox_litxalloy_content(), - ) - # Re-export composition helpers so the prompted import path works: + # Write composition helpers so the prompted import path works: # from litxbench.litxalloy import balance_composition, ... _write_file( - sandbox_package_root / "evals/litxalloy/__init__.py", - "from litxbench.litxalloy import balance_composition, composition_with_weight_additions\n", + sandbox_package_root / "litxalloy/__init__.py", + _build_sandbox_litxalloy_content(), ) if pc.include_normalize_function: _write_file( diff --git a/scripts/paper/question_each_paper.py b/scripts/paper/question_each_paper.py index 776a95d..c88b822 100644 --- a/scripts/paper/question_each_paper.py +++ b/scripts/paper/question_each_paper.py @@ -1,6 +1,5 @@ """Run a custom question across all transcribed papers.""" -import re import textwrap from concurrent.futures import ThreadPoolExecutor, as_completed from dataclasses import dataclass @@ -42,18 +41,8 @@ def build_agent() -> Agent: def get_manual_extraction_code_for_doi(doi: str) -> str: - dataset_path = Path(resolve_path("src/experiment_extraction_eval/evals/litxalloy/dataset/litxalloy.py")) - dataset_text = dataset_path.read_text() - doi_pattern = re.compile(r'^\s*"' + re.escape(doi) + r'":\s*\[', re.MULTILINE) - doi_match = doi_pattern.search(dataset_text) - if doi_match is None: - return "" - - block_start = doi_match.start() - next_entry_pattern = re.compile(r'^\s*"10\.[^"]+":\s*\[', re.MULTILINE) - next_entry_match = next_entry_pattern.search(dataset_text, doi_match.end()) - block_end = next_entry_match.start() if next_entry_match is not None else dataset_text.rfind("}") - return dataset_text[block_start:block_end].rstrip() + extraction_file = Path(resolve_path(f"src/litxbench/litxalloy/extractions/{doi}.py")) + return extraction_file.read_text() def build_question_prompt(doi: str, prompt_inputs: PromptInputs) -> str: From a9bdbcc2473a159c84481ebdfcffdb1970c0cfdb Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 16:55:14 -0400 Subject: [PATCH 03/22] fix ci bug and improve headers --- .github/workflows/docs.yml | 2 +- docs/_templates/sidebar/explorer-link.html | 6 ++++++ docs/conf.py | 2 +- 3 files changed, 8 insertions(+), 2 deletions(-) diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index d3af701..78ab1c2 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -27,7 +27,7 @@ jobs: run: uv python install 3.12 - name: Install Python dependencies - run: uv sync --group docs + run: uv sync --extra docs - name: Build Sphinx documentation run: uv run sphinx-build docs docs/_build/html diff --git a/docs/_templates/sidebar/explorer-link.html b/docs/_templates/sidebar/explorer-link.html index 1af09cb..a8981a9 100644 --- a/docs/_templates/sidebar/explorer-link.html +++ b/docs/_templates/sidebar/explorer-link.html @@ -6,5 +6,11 @@
  • LitXAlloy Graph Viewer
    • +
  • + GitHub +
    • +
  • + Paper +
    • diff --git a/docs/conf.py b/docs/conf.py index a3a05bc..765b0d9 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -30,7 +30,7 @@ exclude_patterns = ["_build", "Thumbs.db", ".DS_Store"] html_theme = "furo" -html_title = f"LitXBench v{version} · LitXAlloy v{litxalloy_version}" +html_title = f"LitXBench v{version} · LitXAlloy v{litxalloy_version}" html_static_path = ["_static"] html_css_files = ["custom.css"] html_js_files = ["leaderboard.js"] From 260d6ceb1280e9ac4a01a9cb3d2168e56e5388e0 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 16:56:20 -0400 Subject: [PATCH 04/22] bump version --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index acd8e31..4c66dc3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "litxbench" -version = "0.1.1" +version = "0.1.2" description = "A Benchmark for Information Extraction From Scientific Literature" readme = "README.md" requires-python = ">=3.12" From 55b24f0b58e9a9a1ce77222d41fa77abfaa0f0b0 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 20:38:57 -0400 Subject: [PATCH 05/22] update uv lock --- uv.lock | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/uv.lock b/uv.lock index 1994eb4..877c68a 100644 --- a/uv.lock +++ b/uv.lock @@ -1442,7 +1442,7 @@ wheels = [ [[package]] name = "litxbench" -version = "0.1.1" +version = "0.1.2" source = { editable = "." } dependencies = [ { name = "pint", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, From 869d0f1c168495dc07a452972f224f1fc3f62986 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 20:41:22 -0400 Subject: [PATCH 06/22] better contributing page --- docs/about/contributing.rst | 19 ++----------------- 1 file changed, 2 insertions(+), 17 deletions(-) diff --git a/docs/about/contributing.rst b/docs/about/contributing.rst index 9fc625b..e2483bb 100644 --- a/docs/about/contributing.rst +++ b/docs/about/contributing.rst @@ -11,16 +11,10 @@ Development Setup git clone https://github.com/Radical-AI/litxbench.git cd litxbench - uv sync --group dev + uv sync --extra dev If you want to replicate results from the paper you'll need to add `--group paper` to install the required dependencies. -Running Tests -------------- - -.. code-block:: bash - - uv run pytest Contributing to the Leaderboard ------------------------------- @@ -31,13 +25,4 @@ We welcome community contributions to the :doc:`/leaderboard`. To add your metho 2. Evaluate your results using the LitXBench evaluation pipeline (see :doc:`/user/evaluation`). 3. Open a `pull request `_ that adds your results as a new row to the leaderboard table in ``docs/leaderboard.rst``. -Uncertainties are not required -- if your method was only run once, simply report the score without a confidence interval. - -Building Docs Locally ---------------------- - -.. code-block:: bash - - uv sync --group docs - uv run sphinx-build docs docs/_build/html - open docs/_build/html/index.html +Uncertainties are not required -- if your method was only run once, simply report the score without a confidence interval. \ No newline at end of file From 5c3a2645b71dc9143120fc44f9e45402b3baf32c Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 20:57:48 -0400 Subject: [PATCH 07/22] more detailed contribution page --- docs/about/contributing.rst | 41 +++++++++++++++++++++++-------------- 1 file changed, 26 insertions(+), 15 deletions(-) diff --git a/docs/about/contributing.rst b/docs/about/contributing.rst index e2483bb..5132ce5 100644 --- a/docs/about/contributing.rst +++ b/docs/about/contributing.rst @@ -1,5 +1,28 @@ -Contributing -============ +Contributing to the Leaderboard +------------------------------- + +We welcome community contributions to the :doc:`/leaderboard`. To add your method: + +1. Run your extraction method on the LitXAlloy benchmark dataset by calling ``compare_experiments`` and ``compute_multi_level_metrics``. An example is in the `usage script `_. +2. Open a `pull request `_ that adds your results as a new row to the leaderboard table in ``docs/leaderboard.rst``. + +When updating ``docs/leaderboard.rst``, please include: + +1. A link to the code that generated the results +2. The file containing the output experiment objects from your run +3. Any publication you'd like linked +4. A link to the PR that submitted your result +5. The version of LitXAlloy it was evaluated on. You can get this with: + + .. code-block:: python + + from litxbench.litxalloy import __version__ + print(__version__) # e.g. "0.1.0" + +Uncertainties are not required -- if your method was only run once, simply report the score without a confidence interval. + +Contributing to LitXBench +========================= Contributions to LitXBench are welcome! Please open an issue or pull request on the `GitHub repository `_. @@ -13,16 +36,4 @@ Development Setup cd litxbench uv sync --extra dev -If you want to replicate results from the paper you'll need to add `--group paper` to install the required dependencies. - - -Contributing to the Leaderboard -------------------------------- - -We welcome community contributions to the :doc:`/leaderboard`. To add your method: - -1. Run your extraction method on the LitXAlloy benchmark dataset. -2. Evaluate your results using the LitXBench evaluation pipeline (see :doc:`/user/evaluation`). -3. Open a `pull request `_ that adds your results as a new row to the leaderboard table in ``docs/leaderboard.rst``. - -Uncertainties are not required -- if your method was only run once, simply report the score without a confidence interval. \ No newline at end of file +If you want to replicate results from the paper you'll need to add ``--group paper`` to install the required dependencies. From 0c8a41983168e239538048c698a62c27fe0d5182 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 21:01:35 -0400 Subject: [PATCH 08/22] more explicit about how litxalloy changes --- docs/about/contributing.rst | 2 +- src/litxbench/litxalloy/__init__.py | 5 ++++- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/docs/about/contributing.rst b/docs/about/contributing.rst index 5132ce5..04f6240 100644 --- a/docs/about/contributing.rst +++ b/docs/about/contributing.rst @@ -12,7 +12,7 @@ When updating ``docs/leaderboard.rst``, please include: 2. The file containing the output experiment objects from your run 3. Any publication you'd like linked 4. A link to the PR that submitted your result -5. The version of LitXAlloy it was evaluated on. You can get this with: +5. The version of LitXAlloy it was evaluated on (this version is bumped when the dataset or evaluation methods change, so scores across different versions may not be directly comparable). You can get this with: .. code-block:: python diff --git a/src/litxbench/litxalloy/__init__.py b/src/litxbench/litxalloy/__init__.py index 130ebb1..155b5d2 100644 --- a/src/litxbench/litxalloy/__init__.py +++ b/src/litxbench/litxalloy/__init__.py @@ -1,7 +1,10 @@ import urllib.request from pathlib import Path -# hardcode version as it's separate from LitXBench +# hardcode version as it's separate from LitXBench. This version is updated +# every time the data changes or the evaluation changes. It's separate from +# LitXBench to insulate leaderboard versions from changing when minor LitXBench +# changes are made __version__ = "0.1.0" from litxbench.core.extraction_utils import ( # noqa: F401 From 2cd2de3e2f44944559ab7f63f757e356b6125cd9 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 21:06:23 -0400 Subject: [PATCH 09/22] better contributing page --- docs/about/contributing.rst | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/about/contributing.rst b/docs/about/contributing.rst index 04f6240..388c142 100644 --- a/docs/about/contributing.rst +++ b/docs/about/contributing.rst @@ -4,9 +4,9 @@ Contributing to the Leaderboard We welcome community contributions to the :doc:`/leaderboard`. To add your method: 1. Run your extraction method on the LitXAlloy benchmark dataset by calling ``compare_experiments`` and ``compute_multi_level_metrics``. An example is in the `usage script `_. -2. Open a `pull request `_ that adds your results as a new row to the leaderboard table in ``docs/leaderboard.rst``. +2. Open a `pull request `_ that adds your results as a new row to the leaderboard table in `docs/index.rst `_. -When updating ``docs/leaderboard.rst``, please include: +When updating `docs/index.rst `_, please include: 1. A link to the code that generated the results 2. The file containing the output experiment objects from your run @@ -22,13 +22,13 @@ When updating ``docs/leaderboard.rst``, please include: Uncertainties are not required -- if your method was only run once, simply report the score without a confidence interval. Contributing to LitXBench -========================= +------------------------- Contributions to LitXBench are welcome! Please open an issue or pull request on the `GitHub repository `_. Development Setup ------------------ +================= .. code-block:: bash From 96368b36854f05d0d3114b952c66b7a60c923a1b Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 21:09:44 -0400 Subject: [PATCH 10/22] cleanup more docs --- docs/user/building_extractions.rst | 8 ++++---- docs/user/core_concepts.rst | 22 ---------------------- 2 files changed, 4 insertions(+), 26 deletions(-) diff --git a/docs/user/building_extractions.rst b/docs/user/building_extractions.rst index 1645157..5d9a465 100644 --- a/docs/user/building_extractions.rst +++ b/docs/user/building_extractions.rst @@ -11,8 +11,8 @@ Specifying Inputs When a synthesis step combines multiple raw materials or intermediate products, you need to specify what feeds into it. There are three ways to do this. -Via the process string -^^^^^^^^^^^^^^^^^^^^^^ +Via the ``process`` String +^^^^^^^^^^^^^^^^^^^^^^^^^^ The first segment of a process string (before the first ``->``) lists the inputs to the first step. Multiple inputs are comma-separated: @@ -64,8 +64,8 @@ This is useful when a step *within* the group introduces a new material Input names must reference either a key in ``raw_materials`` or the ``name`` of a previously defined output material. -Via template variables in inputs -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +Via Template Variables +^^^^^^^^^^^^^^^^^^^^^^ Inputs can use template variables, allowing the same synthesis group to mix in different materials depending on the output material: diff --git a/docs/user/core_concepts.rst b/docs/user/core_concepts.rst index d200bd4..8691f66 100644 --- a/docs/user/core_concepts.rst +++ b/docs/user/core_concepts.rst @@ -4,28 +4,6 @@ Core Concepts LitXBench represents material extractions as structured Python objects. This page explains the data model and the design principles behind it. -The Experiment Extraction Problem ---------------------------------- - -The experiment extraction task is to output all synthesized materials *m_i* in a paper. -Each material *m* is created from a synthesis process *p* and has measurements *x*. The experiment extraction task is to output all -measurements *x* for each material *m*. The result can be represented as a list of tuples -*(m, p, x)*. - -**Note: Materials are not compositions.** Since compositions are measured values, -there can be multiple composition measurements for each material (e.g. measured by a balance, energy-dispersive X-ray spectroscopy, or optical emission spectroscopy). - -Design Principles ------------------ - -1. **Process lineage over composition** -- A material's properties depend on how it was made, - not just what it's made of. Measurements are linked to the full synthesis history. - -2. **Canonical enumerations** -- Categorical values are mapped to canonical identifiers to prevent - alias collisions. The ``normalize()`` function documents the mapping between a paper's terminology and the correct canonical value. - -3. **Code as representation** -- Materials are expressed as executable Python code rather than - JSON or plain text. This makes LitXBench benchmarks easy-to-edit, have high auditability for readers, and easily allows code-based extraction validation. Data Model Overview ------------------- From 532371cc4f6bd4a979c9ed92f8dc5c7df3b73112 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 22:21:24 -0400 Subject: [PATCH 11/22] add citation. fix install instructions --- README.md | 18 +++++++++++++++++- docs/_templates/sidebar/explorer-link.html | 2 +- docs/index.rst | 14 +++++++++----- docs/transcribe.md | 2 +- docs/user/introduction.rst | 2 +- 5 files changed, 29 insertions(+), 9 deletions(-) diff --git a/README.md b/README.md index 7df93c5..b25f0f4 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ [![PyPI](https://img.shields.io/pypi/v/litxbench?logo=pypi&logoColor=white)](https://pypi.org/project/litxbench) [![LitXAlloy](https://img.shields.io/endpoint?url=https://radical-ai.github.io/litxbench/litxalloy-badge.json)](https://radical-ai.github.io/litxbench) -LitXBench is a benchmark to evaluate LLMs on extracting material information synthesized in research papers. Read the preprint here. +LitXBench is a benchmark to evaluate LLMs on extracting material information synthesized in research papers. Read the preprint [here](https://arxiv.org/pdf/2604.07649).

    LitXBench Principles for Accurate Extraction and Benchmarking. (1) To accurately capture a material’s properties, measurements must be linked to its processing lineage, rather than just its composition. (2) Categorical values should be mapped to canonical values to disambiguate similar values, as multiple papers may reference different properties with the same term. (3) Extracted materials are more editable and auditable when represented as code, reducing errors in the benchmark. @@ -136,3 +136,19 @@ A complete end-to-end example is available at [`examples/usage.py`](examples/usa # Paper Evaluation Scripts Warning For the evaluation scripts used in the paper, LitXBench intructs LLMs to format the extracted materials as code. This code is run by LitXBench via Python `exec`. Do NOT call untrusted LLMs as they may generate untrusted code which could be executed on your machine. + +# Citation + +If you use LitXBench in your research, please cite: + +```bibtex +@article{chong2026litxbench, + title = {LitXBench: A Benchmark for Extracting Experiments from Scientific Literature}, + author = {Curtis Chong and Jorge Colindres}, + year = {2026}, + eprint = {2604.07649}, + archivePrefix = {arXiv}, + primaryClass = {cs.IR}, + url = {https://arxiv.org/abs/2604.07649} +} +``` diff --git a/docs/_templates/sidebar/explorer-link.html b/docs/_templates/sidebar/explorer-link.html index a8981a9..a6b0862 100644 --- a/docs/_templates/sidebar/explorer-link.html +++ b/docs/_templates/sidebar/explorer-link.html @@ -10,7 +10,7 @@ GitHub

  • - Paper + Paper
    • diff --git a/docs/index.rst b/docs/index.rst index 9abdf3b..56dbc5a 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -10,7 +10,7 @@ LitXBench @@ -209,16 +209,20 @@ LitXBench

    Citation

    If you use LitXBench in your research, please cite:

    @article{chong2026litxbench,
-     title={LitXBench: A Benchmark for Extracting Experiments from Scientific Literature},
-     author={Chong, Curtis and Colindres, Jorge},
-     year={2026},
+     title         = {LitXBench: A Benchmark for Extracting Experiments from Scientific Literature},
+     author        = {Curtis Chong and Jorge Colindres},
+     year          = {2026},
+     eprint        = {2604.07649},
+     archivePrefix = {arXiv},
+     primaryClass  = {cs.IR},
+     url           = {https://arxiv.org/abs/2604.07649}
    }
    diff --git a/docs/transcribe.md b/docs/transcribe.md index bf65428..684ee4f 100644 --- a/docs/transcribe.md +++ b/docs/transcribe.md @@ -40,7 +40,7 @@ The transcribe feature processes PDFs using OCR and LLM extraction to produce st This includes the pydantic-ai dependency needed for extraction. ```bash - uv sync --group paper + uv sync --extra paper ``` 5. **Set your API keys** diff --git a/docs/user/introduction.rst b/docs/user/introduction.rst index 1ec2b91..ab9f85b 100644 --- a/docs/user/introduction.rst +++ b/docs/user/introduction.rst @@ -6,7 +6,7 @@ It ships with **LitXAlloy**, a dense benchmark of 1426 measurements from 19 allo with evaluation tools to measure how well an extraction method captures the materials, processes, and measurements reported in a paper. -| `GitHub `_ | `PyPI `_ | `Paper `_ | +| `GitHub `_ | `PyPI `_ | `Paper `_ | Installation ------------ From e9094eec1794ac67539d1cdf59128936b676dfea Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 22:24:33 -0400 Subject: [PATCH 12/22] warning that it only works for alloy papers --- ui/src/app/transcribe/page.tsx | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/ui/src/app/transcribe/page.tsx b/ui/src/app/transcribe/page.tsx index 098b193..1afc81e 100644 --- a/ui/src/app/transcribe/page.tsx +++ b/ui/src/app/transcribe/page.tsx @@ -51,6 +51,14 @@ export default function TranscribePage() { return ; } +function AlloysOnlyBanner() { + return ( +
    + Note: LitXBench transcription is currently optimized specifically for extracting experiments from alloy papers. +
    + ); +} + function InteractiveTranscribe() { const [isDragging, setIsDragging] = useState(false); const [file, setFile] = useState(null); @@ -244,6 +252,7 @@ function InteractiveTranscribe() {

    Transcribe & Extract

    +
    +
    {logs.map((log) => (
    Transcribe & Extract {file?.name} +
    @@ -413,6 +424,7 @@ function InteractiveTranscribe() { New PDF +
    {/* Center: Graph + logs */} From bccb3d93cb5061bda785ea87ed872085c705e93d Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 22:38:34 -0400 Subject: [PATCH 13/22] ui now displays sample names --- ui/src/components/DetailsSidebar.tsx | 18 ++++++-- ui/src/components/GraphViewer.tsx | 61 +++++++++++++++++++++++++++- 2 files changed, 74 insertions(+), 5 deletions(-) diff --git a/ui/src/components/DetailsSidebar.tsx b/ui/src/components/DetailsSidebar.tsx index ceae1b5..00710a9 100644 --- a/ui/src/components/DetailsSidebar.tsx +++ b/ui/src/components/DetailsSidebar.tsx @@ -109,12 +109,24 @@ export default function DetailsSidebar({ selected }: DetailsSidebarProps) { if (selected.kind === "node") { const data = selected.data; const lines = lineStr(data.start_line, data.end_line); + const hasDistinctName = data.name && data.name !== data.label; return (
    -

    - {data.label} -

    + {hasDistinctName ? ( +
    +

    + {data.name} +

    +
    + {data.label} +
    +
    + ) : ( +

    + {data.label} +

    + )} {/* Measurements */} {data.measurements && data.measurements.length > 0 && ( diff --git a/ui/src/components/GraphViewer.tsx b/ui/src/components/GraphViewer.tsx index 169e3c1..f213f67 100644 --- a/ui/src/components/GraphViewer.tsx +++ b/ui/src/components/GraphViewer.tsx @@ -187,6 +187,22 @@ export default function GraphViewer({ "text-outline-color": "#1f6feb", }, }, + { + selector: 'node[type="name-label"]', + style: { + "background-opacity": 0, + "border-width": 0, + width: "1px", + height: "1px", + "font-size": "12px", + "font-weight": "bold", + color: "#c9d1d9", + "text-outline-color": "#0d1117", + "text-outline-width": 2, + "text-max-width": "250px", + "events": "no" as any, + }, + }, { selector: 'node[type="config"]', style: { @@ -273,11 +289,51 @@ export default function GraphViewer({ cyRef.current = cy; + // After layout, add floating name labels above nodes that have a distinct name + const NAME_LABEL_OFFSET = 38; + cy.ready(() => { + // eslint-disable-next-line @typescript-eslint/no-explicit-any + const nameLabels: any[] = []; + cy.nodes().forEach((node) => { + const d = node.data(); + if (d.name && d.name !== d.fullLabel && d.nodeType !== "config") { + const pos = node.position(); + nameLabels.push({ + group: "nodes", + data: { + id: `name-label-${d.id}`, + label: d.name, + nodeType: "name-label", + type: "name-label", + parentNodeId: d.id, + }, + position: { x: pos.x, y: pos.y - NAME_LABEL_OFFSET }, + grabbable: false, + selectable: false, + }); + } + }); + if (nameLabels.length > 0) cy.add(nameLabels); + }); + + // Keep name labels following their parent node on drag + cy.on("drag", "node", (e) => { + const node = e.target; + const d = node.data(); + if (d.nodeType === "name-label") return; + const nameLabelNode = cy.getElementById(`name-label-${d.id}`); + if (nameLabelNode.length) { + const pos = node.position(); + nameLabelNode.position({ x: pos.x, y: pos.y - NAME_LABEL_OFFSET }); + } + }); + // Node hover — show details in sidebar cy.on("mouseover", "node", (e) => { const node = e.target; - node.addClass("hover"); const d = node.data(); + if (d.nodeType === "name-label") return; + node.addClass("hover"); if (d.nodeType === "config") { onHoverRef.current({ kind: "config", @@ -342,8 +398,9 @@ export default function GraphViewer({ // Node click cy.on("tap", "node", (e) => { - cy.edges().removeClass("selected"); const d = e.target.data(); + if (d.nodeType === "name-label") return; + cy.edges().removeClass("selected"); if (d.nodeType === "config") { onSelectRef.current({ kind: "config", From acaeeb4aa326471238ef1b1dc2b6a5bb3ab3bd78 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 22:57:27 -0400 Subject: [PATCH 14/22] fix graph --- src/litxbench/core/eval.py | 4 +- ui/public/data/litxalloy_graph.json | 2210 +++------------------------ 2 files changed, 212 insertions(+), 2002 deletions(-) diff --git a/src/litxbench/core/eval.py b/src/litxbench/core/eval.py index cd72586..82c5f49 100644 --- a/src/litxbench/core/eval.py +++ b/src/litxbench/core/eval.py @@ -2,7 +2,7 @@ import re from collections.abc import Sequence -from dataclasses import dataclass, field +from dataclasses import dataclass, field, replace from typing import Any import pint @@ -229,7 +229,7 @@ def resolve_process_events( # Auto-inject step.inputs into the first ProcessEvent's inputs if step.inputs and resolved: - resolved[0].inputs.extend(step.inputs) + resolved[0] = replace(resolved[0], inputs=resolved[0].inputs + step.inputs) all_events.extend(resolved) return all_events diff --git a/ui/public/data/litxalloy_graph.json b/ui/public/data/litxalloy_graph.json index af4391b..83ae41b 100644 --- a/ui/public/data/litxalloy_graph.json +++ b/ui/public/data/litxalloy_graph.json @@ -47,8 +47,8 @@ "type": "phase", "struct": "BCC", "tags": [ - "dendrite", - "equiaxed" + "equiaxed", + "dendrite" ] } ], @@ -184,13 +184,7 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "Section 2. Experimental procedure" }, { "kind": "As Cast", @@ -215,13 +209,7 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "Section 2. Experimental procedure" }, { "kind": "As Cast", @@ -246,13 +234,7 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "Section 2. Experimental procedure" }, { "kind": "As Cast", @@ -277,13 +259,7 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere on a water-cooled Cu hearth. The alloys were remelted several times and flipped each times in order to improve homogeneity. This resulted in alloy buttons with about 11 mm thick and 30 mm in diameter.", - "source": "Section 2. Experimental procedure", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "Section 2. Experimental procedure" }, { "kind": "As Cast", @@ -505,10 +481,7 @@ { "kind": "Arc Melting", "description": "Arc melted under an argon atmosphere", - "source": "Methods", - "inputs": [ - "elements" - ] + "source": "Methods" }, { "kind": "Drop Casting", @@ -683,8 +656,8 @@ "name": "intragranular B2 grains", "struct": "B2", "tags": [ - "precipitate", - "intragranular" + "intragranular", + "precipitate" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -738,8 +711,8 @@ "name": "soft FCC lamellae", "struct": "FCC", "tags": [ - "twin", - "lamellar" + "lamellar", + "twin" ], "description": "rich in Fe and Cr", "source": "the enriched Fe and Cr lamellae corresponded to FCC grains", @@ -757,8 +730,8 @@ "name": "intragranular B2 grains", "struct": "B2", "tags": [ - "precipitate", - "intragranular" + "intragranular", + "precipitate" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -891,8 +864,8 @@ "name": "intragranular B2 grains", "struct": "B2", "tags": [ - "precipitate", - "intragranular" + "intragranular", + "precipitate" ], "within": "soft FCC lamellae", "description": "NiAl-rich precipitates", @@ -960,10 +933,7 @@ { "kind": "Arc Melting", "description": "Arc melted under a Ti-gettered high-purity argon atmosphere. The melting was repeated at least five times to achieve a good chemical homogeneity of the alloy.", - "source": "Methods", - "inputs": [ - "elements" - ] + "source": "Methods" }, { "kind": "Suction Casting", @@ -989,13 +959,7 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods.", - "inputs": [ - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA" - ] + "source": "Methods." } ] }, @@ -1046,13 +1010,7 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods.", - "inputs": [ - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA" - ] + "source": "Methods." } ] }, @@ -1103,13 +1061,7 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods.", - "inputs": [ - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA" - ] + "source": "Methods." } ] }, @@ -1160,13 +1112,7 @@ { "kind": "Cold Rolling", "description": "multi-pass cold-rolling to 84-86% reduction in thickness (the final thickness of ~600 \u03bcm) using a laboratory-scale two-high rolling machine.", - "source": "Methods.", - "inputs": [ - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA", - "as-cast_EHEA" - ] + "source": "Methods." } ] }, @@ -1272,8 +1218,8 @@ "type": "phase", "name": "interdendritic", "tags": [ - "eutectic", - "interdendritic" + "interdendritic", + "eutectic" ], "source": "Figure 6 caption", "measurements": [ @@ -1495,16 +1441,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1533,16 +1470,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1571,16 +1499,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1609,16 +1528,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1647,16 +1557,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1685,16 +1586,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1723,16 +1615,7 @@ { "kind": "Arc Melting", "description": "Also, arc-melted pellets were remelted four times to ensure homogeneity", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "As Cast", @@ -1978,12 +1861,7 @@ { "kind": "Induction Melting", "description": "The TRIP HEA was produced by melting and casting in a vacuum induction furnace", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "Gravity Casting", @@ -2031,12 +1909,7 @@ { "kind": "Induction Melting", "description": "The TRIP HEA was produced by melting and casting in a vacuum induction furnace", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "Gravity Casting", @@ -2097,12 +1970,7 @@ { "kind": "Induction Melting", "description": "The TRIP HEA was produced by melting and casting in a vacuum induction furnace", - "source": "Methods", - "inputs": [ - "elements", - "elements", - "elements" - ] + "source": "Methods" }, { "kind": "Gravity Casting", @@ -2765,14 +2633,7 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "790 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" } ] }, @@ -2809,14 +2670,7 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "785 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" } ] }, @@ -2853,14 +2707,7 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "780 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" } ] }, @@ -2897,14 +2744,7 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "830 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" } ] }, @@ -2941,14 +2781,7 @@ "kind": "Induction Melting", "description": "Firstly, Al and Si were placed at the bottom of the crucible to guarantee a bath base where the other elements were dissolved from highest to lowest melting point. In the second stage, the variable element of each alloy (Fe, Ni, Cr, Mn or Zr) was added to the molten alloy. The maximum temperature was reached at this stage. Finally, Cu, Zn and Mg were added respectively and held around 750 \u00b0C, at least 10 minutes to reach complete dissolution.", "temperature": "850 degree_Celsius", - "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Methods->Materials preparation and table 4 for the actual maximum furnace temperatures" } ] }, @@ -3284,13 +3117,7 @@ "events": [ { "kind": "Induction Melting", - "source": "Experimental Work", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Work" }, { "kind": "Gravity Casting", @@ -3319,17 +3146,7 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "source": "Experimental Work" } ] } @@ -3339,31 +3156,21 @@ "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:1", - "label": "annealing", + "source": "doi_10_1155__2019__2157592/exp:0/material:0", + "target": "doi_10_1155__2019__2157592/exp:0/material:2", + "label": "annealing[Hours=20]", "process_steps": [ { "base_name": "annealing", "variables": { - "Hours": "10" + "Hours": "20" }, "events": [ { "kind": "Annealing", "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "duration": "20 hour", + "source": "Experimental Work" } ] } @@ -3373,43 +3180,36 @@ "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:1", - "label": "annealing", + "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", + "target": "doi_10_1155__2019__2157592/exp:0/material:3", + "label": "creation[Thickness=5]", "process_steps": [ { - "base_name": "annealing", + "base_name": "creation", "variables": { - "Hours": "10" + "Thickness": "5" }, "events": [ { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "kind": "Induction Melting", + "source": "Experimental Work" + }, + { + "kind": "Gravity Casting", + "description": "samples were poured in a mold shaped as Y blocks of 5mm thickness.", + "source": "Experimental Work" } ] } ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", + "start_line": 36, + "end_line": 39 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:1", - "label": "annealing", + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:4", + "label": "annealing[Hours=10]", "process_steps": [ { "base_name": "annealing", @@ -3421,17 +3221,7 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "source": "Experimental Work" } ] } @@ -3441,8 +3231,8 @@ "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:2", + "source": "doi_10_1155__2019__2157592/exp:0/material:3", + "target": "doi_10_1155__2019__2157592/exp:0/material:5", "label": "annealing[Hours=20]", "process_steps": [ { @@ -3455,17 +3245,7 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "source": "Experimental Work" } ] } @@ -3475,844 +3255,48 @@ "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:2", - "label": "annealing", + "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", + "target": "doi_10_1155__2019__2157592/exp:0/material:6", + "label": "creation[Thickness=30]", "process_steps": [ { - "base_name": "annealing", + "base_name": "creation", "variables": { - "Hours": "20" + "Thickness": "30" }, "events": [ { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "kind": "Induction Melting", + "source": "Experimental Work" + }, + { + "kind": "Gravity Casting", + "description": "samples were poured in a mold shaped as Y blocks of 30mm thickness.", + "source": "Experimental Work" } ] } ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", + "start_line": 36, + "end_line": 39 }, { "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:2", - "label": "annealing", + "target": "doi_10_1155__2019__2157592/exp:0/material:7", + "label": "annealing[Hours=10]", "process_steps": [ { "base_name": "annealing", "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:2", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", - "target": "doi_10_1155__2019__2157592/exp:0/material:3", - "label": "creation[Thickness=5]", - "process_steps": [ - { - "base_name": "creation", - "variables": { - "Thickness": "5" - }, - "events": [ - { - "kind": "Induction Melting", - "source": "Experimental Work", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] - }, - { - "kind": "Gravity Casting", - "description": "samples were poured in a mold shaped as Y blocks of 5mm thickness.", - "source": "Experimental Work" - } - ] - } - ], - "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", - "start_line": 36, - "end_line": 39 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:4", - "label": "annealing[Hours=10]", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:4", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:4", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:4", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:5", - "label": "annealing[Hours=20]", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:5", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:5", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:5", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", - "target": "doi_10_1155__2019__2157592/exp:0/material:6", - "label": "creation[Thickness=30]", - "process_steps": [ - { - "base_name": "creation", - "variables": { - "Thickness": "30" - }, - "events": [ - { - "kind": "Induction Melting", - "source": "Experimental Work", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] - }, - { - "kind": "Gravity Casting", - "description": "samples were poured in a mold shaped as Y blocks of 30mm thickness.", - "source": "Experimental Work" - } - ] - } - ], - "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", - "start_line": 36, - "end_line": 39 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:7", - "label": "annealing[Hours=10]", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:7", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:7", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:7", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:8", - "label": "annealing[Hours=20]", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:8", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:8", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:8", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "20" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", - "target": "doi_10_1155__2019__2157592/exp:0/material:9", - "label": "creation[Thickness=30]", - "process_steps": [ - { - "base_name": "creation", - "variables": { - "Thickness": "30" - }, - "events": [ - { - "kind": "Induction Melting", - "source": "Experimental Work", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] - }, - { - "kind": "Gravity Casting", - "description": "samples were poured in a mold shaped as Y blocks of 30mm thickness.", - "source": "Experimental Work" - } - ] - } - ], - "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", - "start_line": 36, - "end_line": 39 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:10", - "label": "annealing[Hours=10]", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:10", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:10", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" + "Hours": "10" }, "events": [ { "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "source": "Experimental Work" } ] } @@ -4323,41 +3307,7 @@ }, { "source": "doi_10_1155__2019__2157592/exp:0/material:6", - "target": "doi_10_1155__2019__2157592/exp:0/material:10", - "label": "annealing", - "process_steps": [ - { - "base_name": "annealing", - "variables": { - "Hours": "10" - }, - "events": [ - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "10 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] - } - ] - } - ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 - }, - { - "source": "doi_10_1155__2019__2157592/exp:0/material:9", - "target": "doi_10_1155__2019__2157592/exp:0/material:11", + "target": "doi_10_1155__2019__2157592/exp:0/material:8", "label": "annealing[Hours=20]", "process_steps": [ { @@ -4370,17 +3320,7 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "source": "Experimental Work" } ] } @@ -4390,65 +3330,48 @@ "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:0", - "target": "doi_10_1155__2019__2157592/exp:0/material:11", - "label": "annealing", + "source": "doi_10_1155__2019__2157592/exp:0/raw:elements", + "target": "doi_10_1155__2019__2157592/exp:0/material:9", + "label": "creation[Thickness=30]", "process_steps": [ { - "base_name": "annealing", + "base_name": "creation", "variables": { - "Hours": "20" + "Thickness": "30" }, "events": [ { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "kind": "Induction Melting", + "source": "Experimental Work" + }, + { + "kind": "Gravity Casting", + "description": "samples were poured in a mold shaped as Y blocks of 30mm thickness.", + "source": "Experimental Work" } ] } ], - "source_code": "[ProcessEvent(kind=ProcessKind.Annealing, temperature=Quantity(value=900, unit=Celsius), duration=Quantity(value=\"[Hours]\", unit=Hour), source=\"Experimental Work\")]", - "start_line": 40, - "end_line": 40 + "source_code": "[\n ProcessEvent(kind=ProcessKind.InductionMelting, source=\"Experimental Work\"),\n ProcessEvent(kind=ProcessKind.GravityCasting, description=\"samples were poured in a mold shaped as Y blocks of [Thickness]mm thickness.\", source=\"Experimental Work\"),\n ]", + "start_line": 36, + "end_line": 39 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:3", - "target": "doi_10_1155__2019__2157592/exp:0/material:11", - "label": "annealing", + "source": "doi_10_1155__2019__2157592/exp:0/material:9", + "target": "doi_10_1155__2019__2157592/exp:0/material:10", + "label": "annealing[Hours=10]", "process_steps": [ { "base_name": "annealing", "variables": { - "Hours": "20" + "Hours": "10" }, "events": [ { "kind": "Annealing", "temperature": "900 degree_Celsius", - "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "duration": "10 hour", + "source": "Experimental Work" } ] } @@ -4458,9 +3381,9 @@ "end_line": 40 }, { - "source": "doi_10_1155__2019__2157592/exp:0/material:6", + "source": "doi_10_1155__2019__2157592/exp:0/material:9", "target": "doi_10_1155__2019__2157592/exp:0/material:11", - "label": "annealing", + "label": "annealing[Hours=20]", "process_steps": [ { "base_name": "annealing", @@ -4472,17 +3395,7 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "20 hour", - "source": "Experimental Work", - "inputs": [ - "C1", - "C1", - "C1 5mm", - "C1 5mm", - "C2", - "C2", - "C3", - "C3" - ] + "source": "Experimental Work" } ] } @@ -4506,21 +3419,6 @@ "doi_10_3390__coatings9010016": [ { "nodes": [ - { - "id": "doi_10_3390__coatings9010016/exp:0/raw:Q235 steel substrate", - "type": "raw_material", - "label": "Q235 steel substrate", - "name": "Q235 steel substrate", - "materials": { - "Q235 steel substrate": { - "kind": "RawMaterialKind.Plate", - "description": null - } - }, - "source_code": "RawMaterial(kind=RawMaterialKind.Plate)", - "start_line": 41, - "end_line": 41 - }, { "id": "doi_10_3390__coatings9010016/exp:0/raw:elements", "type": "raw_material", @@ -4536,6 +3434,21 @@ "start_line": 39, "end_line": 39 }, + { + "id": "doi_10_3390__coatings9010016/exp:0/raw:Q235 steel substrate", + "type": "raw_material", + "label": "Q235 steel substrate", + "name": "Q235 steel substrate", + "materials": { + "Q235 steel substrate": { + "kind": "RawMaterialKind.Plate", + "description": null + } + }, + "source_code": "RawMaterial(kind=RawMaterialKind.Plate)", + "start_line": 41, + "end_line": 41 + }, { "id": "doi_10_3390__coatings9010016/exp:0/raw:wc_additions", "type": "raw_material", @@ -4939,10 +3852,7 @@ "events": [ { "kind": "Grinding", - "description": "400 mesh sandpaper", - "inputs": [ - "Q235 steel substrate" - ] + "description": "400 mesh sandpaper" }, { "kind": "Grinding", @@ -4979,11 +3889,7 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure", - "inputs": [ - "prepared_steel", - "prepared_steel" - ] + "source": "Experimental Procedure" }, { "kind": "Mixing", @@ -5019,11 +3925,7 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure", - "inputs": [ - "prepared_steel", - "prepared_steel" - ] + "source": "Experimental Procedure" }, { "kind": "Mixing", @@ -5059,11 +3961,7 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure", - "inputs": [ - "prepared_steel", - "prepared_steel" - ] + "source": "Experimental Procedure" }, { "kind": "Mixing", @@ -5099,11 +3997,7 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure", - "inputs": [ - "prepared_steel", - "prepared_steel" - ] + "source": "Experimental Procedure" }, { "kind": "Mixing", @@ -5139,11 +4033,7 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure", - "inputs": [ - "prepared_steel", - "prepared_steel" - ] + "source": "Experimental Procedure" }, { "kind": "Mixing", @@ -5179,11 +4069,7 @@ "kind": "Mechanical Alloying", "description": "mixed at 350 revolutions per minute (rpm) in an argon atmosphere. High-performance stainless-steel vials and balls were utilized, and the ball-to-powder mass ratio was 15:1. The diameters of milling balls used were 10, 6, and 3 mm, and the mass ratio of these three kinds of balls was 1:1:1", "duration": "200 hour", - "source": "Experimental Procedure", - "inputs": [ - "prepared_steel", - "prepared_steel" - ] + "source": "Experimental Procedure" }, { "kind": "Mixing", @@ -5697,15 +4583,7 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" }, { "kind": "As Cast", @@ -5735,15 +4613,7 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" }, { "kind": "As Cast", @@ -5773,15 +4643,7 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" }, { "kind": "As Cast", @@ -5811,15 +4673,7 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" }, { "kind": "As Cast", @@ -5849,15 +4703,7 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" }, { "kind": "As Cast", @@ -5887,15 +4733,7 @@ { "kind": "Arc Melting", "description": "Under an argon atmosphere. In order to decrease the aluminum losses, the other elements, i.e., Nb, Ti, Mo, and V, were re-melted four times first, then Al is added to the pre-melted ingots, and all the constituents were re-melted four times to ensure the chemical homogeneity of the alloys. All the liquid states were held for 5 minutes during each melting event. Used a high-purity molten Ti as a trap for residual oxygen", - "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "Experimental Procedures. The abstract says that it's VacuumArcMelting" }, { "kind": "As Cast", @@ -6048,10 +4886,7 @@ { "kind": "Arc Melting", "description": "Vacuum arc melting on a water-cooled copper hearth in a Ti-gettered, high-purity argon atmosphere. To achieve a homogeneous distribution of elements, the ingot was remelted at least seven times. Between melts, the ingot was flipped in an attempt to better mix the constituent elements. The ingot was about 35 mm in diameter and 15 mm in height.", - "source": "Computational Methodologies and Experimental Procedures", - "inputs": [ - "elements" - ] + "source": "Computational Methodologies and Experimental Procedures" }, { "kind": "As Cast", @@ -6736,15 +5571,7 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -6769,15 +5596,7 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -6802,15 +5621,7 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -6835,15 +5646,7 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -6862,21 +5665,13 @@ "label": "default", "process_steps": [ { - "base_name": "default", - "variables": {}, - "events": [ - { - "kind": "Arc Melting", - "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "base_name": "default", + "variables": {}, + "events": [ + { + "kind": "Arc Melting", + "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -6901,15 +5696,7 @@ { "kind": "Arc Melting", "description": "These pure metals were stacked together in the sequence of low melting point to high melting point from bottom to top. The ingot of each alloy was flipped and re-melted, at least, four times to improve the chemical homogeneity.", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7629,16 +6416,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7664,16 +6442,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7699,16 +6468,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7734,16 +6494,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7769,16 +6520,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7804,16 +6546,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -7839,16 +6572,7 @@ { "kind": "Arc Melting", "description": "Experimental alloys were prepared by vacuum arc melting in water cooled copper crucible. Casting was performed 8x times and flipped for each melt to mix the elements thoroughly and suppress chemical heterogeneity", - "source": "2. Materials and Methods", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Materials and Methods" }, { "kind": "As Cast", @@ -8212,13 +6936,7 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "6 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] } @@ -8242,13 +6960,7 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "18 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] } @@ -8272,13 +6984,7 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "30 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] } @@ -8302,13 +7008,7 @@ "kind": "Mechanical Alloying", "description": "Milled in a planetary ball miller (QM-BP, Nanjing Nanda Instrument Plant, Nanjing, China) (300 rpm, argon atmosphere) with stainless steel vials and balls as milling media (a ball-to-powder mass ratio of 20:1). N-heptane was used as the processing controlling agent (PCA) to avoid cold welding and oxidation.", "duration": "60 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] } @@ -8333,13 +7033,7 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "600 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental", - "inputs": [ - "base", - "base", - "base", - "base" - ] + "source": "2. Experimental" } ] } @@ -8364,13 +7058,7 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "700 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental", - "inputs": [ - "base", - "base", - "base", - "base" - ] + "source": "2. Experimental" } ] } @@ -8395,13 +7083,7 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "800 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental", - "inputs": [ - "base", - "base", - "base", - "base" - ] + "source": "2. Experimental" } ] } @@ -8426,13 +7108,7 @@ "description": "Consolidated by SPS (Dr. Sinter-3.20 MKII, Sumitomo, Osaka, Japan). The pressure was 30 MPa uniaxial during sintering. The dwell time at temperature was 10 min. The atmosphere was argon.", "temperature": "900 degree_Celsius", "duration": "10 minute", - "source": "2. Experimental", - "inputs": [ - "base", - "base", - "base", - "base" - ] + "source": "2. Experimental" } ] } @@ -9253,16 +7929,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -9344,16 +8011,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -9436,16 +8094,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -9528,16 +8177,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -9619,16 +8259,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -9711,16 +8342,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -9802,16 +8424,7 @@ { "kind": "Ultrasonic Bath", "description": "cleaned in ethanol in an ultrasonic bath", - "source": "2.1. Alloy Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1. Alloy Preparation" }, { "kind": "Induction Melting", @@ -10346,14 +8959,7 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1 Material Preparation" }, { "kind": "As Cast", @@ -10380,14 +8986,7 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1 Material Preparation" }, { "kind": "As Cast", @@ -10414,14 +9013,7 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1 Material Preparation" }, { "kind": "As Cast", @@ -10448,14 +9040,7 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1 Material Preparation" }, { "kind": "As Cast", @@ -10482,14 +9067,7 @@ "kind": "Arc Melting", "description": "The ingots were prepared by arc melting under a Ti-gettered, high-purity argon atmosphere. Each ingot was re-melted at least five times in the water-chilled copper crucible, held at a liquid state for at least 5 min and flipped before each melting process. electromagnetic stirring was used during the melting process", "duration": "5 minute", - "source": "2.1 Material Preparation", - "inputs": [ - "elements", - "elements", - "elements", - "elements", - "elements" - ] + "source": "2.1 Material Preparation" }, { "kind": "As Cast", @@ -10772,10 +9350,7 @@ { "kind": "Vacuum Furnace", "description": "Was a vacuum furnace", - "source": "2. Experimental Procedures", - "inputs": [ - "elements" - ] + "source": "2. Experimental Procedures" }, { "kind": "Gas Atomization", @@ -10809,13 +9384,7 @@ "kind": "Annealing", "temperature": "700 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures", - "inputs": [ - "as_extruded", - "as_extruded", - "as_extruded", - "as_extruded" - ] + "source": "2. Experimental Procedures" }, { "kind": "Water Quenching", @@ -10843,13 +9412,7 @@ "kind": "Annealing", "temperature": "800 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures", - "inputs": [ - "as_extruded", - "as_extruded", - "as_extruded", - "as_extruded" - ] + "source": "2. Experimental Procedures" }, { "kind": "Water Quenching", @@ -10877,13 +9440,7 @@ "kind": "Annealing", "temperature": "900 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures", - "inputs": [ - "as_extruded", - "as_extruded", - "as_extruded", - "as_extruded" - ] + "source": "2. Experimental Procedures" }, { "kind": "Water Quenching", @@ -10911,13 +9468,7 @@ "kind": "Annealing", "temperature": "1000 degree_Celsius", "duration": "72 hour", - "source": "2. Experimental Procedures", - "inputs": [ - "as_extruded", - "as_extruded", - "as_extruded", - "as_extruded" - ] + "source": "2. Experimental Procedures" }, { "kind": "Water Quenching", @@ -11468,8 +10019,8 @@ "type": "phase", "name": "Region A: Matrix", "tags": [ - "dendrite", - "matrix" + "matrix", + "dendrite" ], "description": "It consists of a BCC Solid Solution AND Li2MgAl phase. Displays a dendritic structure divided by net-like interdendritic structure.", "source": "The matrix, i.e. Region A in figure 4d, consists of the BCC solid solution and the Li2MgAl phase. Both the Al15Li38Mg45Ca0.5Si1.5 and Al15Li39Mg45Ca0.5Si0.5 ULW-CCAs display a dendritic structure, which is divided by the net-like interdendritic structure.", @@ -11560,19 +10111,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11616,19 +10155,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11669,22 +10196,10 @@ "base_name": "default", "variables": {}, "events": [ - { - "kind": "Induction Melting", - "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + { + "kind": "Induction Melting", + "description": "induction melting in an argon atmosphere and a graphite crucible.", + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11728,19 +10243,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11784,19 +10287,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11840,19 +10331,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11896,19 +10375,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -11952,19 +10419,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -12008,19 +10463,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -12064,19 +10507,7 @@ { "kind": "Induction Melting", "description": "induction melting in an argon atmosphere and a graphite crucible.", - "source": "2.3 Experiment Process", - "inputs": [ - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys", - "elements", - "master_alloys" - ] + "source": "2.3 Experiment Process" }, { "kind": "Casting Unspecified", @@ -12306,13 +10737,7 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] }, @@ -12365,13 +10790,7 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] }, @@ -12424,13 +10843,7 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] }, @@ -12483,13 +10896,7 @@ "kind": "Planetary Milling", "description": "The weight ratio between the powder and the stainless-steel balls was 1:10 and ethanol was added as the milling medium. Milling speed was 300 rev/min", "duration": "20 hour", - "source": "2. Experimental", - "inputs": [ - "elements", - "elements", - "elements", - "elements" - ] + "source": "2. Experimental" } ] } @@ -12984,12 +11391,7 @@ "kind": "Press", "description": "Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}", "temperature": "980 degree_Celsius", - "source": "2. Materials and Methods", - "inputs": [ - "workpiece", - "workpiece", - "workpiece" - ] + "source": "2. Materials and Methods" }, { "kind": "Cut", @@ -13012,11 +11414,7 @@ "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", "temperature": "1100 degree_Celsius", "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] + "source": "2. Materials and Methods" }, { "kind": "Water Quenching", @@ -13039,88 +11437,6 @@ "start_line": 33, "end_line": 59 }, - { - "source": "doi_10_3390__met10111466/exp:0/material:1", - "target": "doi_10_3390__met10111466/exp:0/material:0", - "label": "heat_treatment", - "process_steps": [ - { - "base_name": "heat_treatment", - "variables": {}, - "events": [ - { - "kind": "Solution Heat Treatment", - "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", - "temperature": "1100 degree_Celsius", - "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] - }, - { - "kind": "Water Quenching", - "source": "2. Materials and Methods" - }, - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "24 hour", - "source": "2. Materials and Methods" - }, - { - "kind": "Water Quenching", - "source": "2. Materials and Methods" - } - ] - } - ], - "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", - "start_line": 43, - "end_line": 59 - }, - { - "source": "doi_10_3390__met10111466/exp:0/material:2", - "target": "doi_10_3390__met10111466/exp:0/material:0", - "label": "heat_treatment", - "process_steps": [ - { - "base_name": "heat_treatment", - "variables": {}, - "events": [ - { - "kind": "Solution Heat Treatment", - "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", - "temperature": "1100 degree_Celsius", - "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] - }, - { - "kind": "Water Quenching", - "source": "2. Materials and Methods" - }, - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "24 hour", - "source": "2. Materials and Methods" - }, - { - "kind": "Water Quenching", - "source": "2. Materials and Methods" - } - ] - } - ], - "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", - "start_line": 43, - "end_line": 59 - }, { "source": "doi_10_3390__met10111466/exp:0/raw:workpiece", "target": "doi_10_3390__met10111466/exp:0/material:1", @@ -13134,12 +11450,7 @@ "kind": "Press", "description": "Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}", "temperature": "980 degree_Celsius", - "source": "2. Materials and Methods", - "inputs": [ - "workpiece", - "workpiece", - "workpiece" - ] + "source": "2. Materials and Methods" }, { "kind": "Cut", @@ -13171,12 +11482,7 @@ "kind": "Press", "description": "Used an industrial hydraulic (FRISA Aerospace, Santa Catarina, Mexico) press to reduce the height by 73%. It was deformed at a strain rate of 0.13s^{-1}", "temperature": "980 degree_Celsius", - "source": "2. Materials and Methods", - "inputs": [ - "workpiece", - "workpiece", - "workpiece" - ] + "source": "2. Materials and Methods" }, { "kind": "Cut", @@ -13209,52 +11515,7 @@ "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", "temperature": "1100 degree_Celsius", "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] - }, - { - "kind": "Water Quenching", - "source": "2. Materials and Methods" - }, - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "24 hour", - "source": "2. Materials and Methods" - }, - { - "kind": "Water Quenching", "source": "2. Materials and Methods" - } - ] - } - ], - "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", - "start_line": 43, - "end_line": 59 - }, - { - "source": "doi_10_3390__met10111466/exp:0/material:2", - "target": "doi_10_3390__met10111466/exp:0/material:3", - "label": "heat_treatment", - "process_steps": [ - { - "base_name": "heat_treatment", - "variables": {}, - "events": [ - { - "kind": "Solution Heat Treatment", - "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", - "temperature": "1100 degree_Celsius", - "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] }, { "kind": "Water Quenching", @@ -13291,52 +11552,7 @@ "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", "temperature": "1100 degree_Celsius", "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] - }, - { - "kind": "Water Quenching", - "source": "2. Materials and Methods" - }, - { - "kind": "Annealing", - "temperature": "900 degree_Celsius", - "duration": "24 hour", - "source": "2. Materials and Methods" - }, - { - "kind": "Water Quenching", "source": "2. Materials and Methods" - } - ] - } - ], - "source_code": "[\n ProcessEvent(\n kind=ProcessKind.SolutionHeatTreatment,\n temperature=Quantity(value=1100, unit=Celsius),\n duration=Quantity(value=1, unit=Hour),\n description=\"They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, \",\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ProcessEvent(\n kind=normalize(val=ProcessKind.Annealing, val_in_paper=\"aging treatment\"),\n temperature=Quantity(value=900, unit=Celsius),\n duration=Quantity(value=24, unit=Hour),\n source=\"2. Materials and Methods\",\n ),\n ProcessEvent(kind=ProcessKind.WaterQuenching, source=\"2. Materials and Methods\"),\n ]", - "start_line": 43, - "end_line": 59 - }, - { - "source": "doi_10_3390__met10111466/exp:0/material:1", - "target": "doi_10_3390__met10111466/exp:0/material:4", - "label": "heat_treatment", - "process_steps": [ - { - "base_name": "heat_treatment", - "variables": {}, - "events": [ - { - "kind": "Solution Heat Treatment", - "description": "They were subjected to DP718 consisting of a solution treatment at 1100 \u25e6C for 1 h, ", - "temperature": "1100 degree_Celsius", - "duration": "1 hour", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_press", - "sample_b_after_press" - ] }, { "kind": "Water Quenching", @@ -13372,10 +11588,7 @@ "kind": "Press", "description": "tested at 0.001 s^-1 and compressed to a total strain of 0.6", "temperature": "960 degree_Celsius", - "source": "2. Materials and Methods", - "inputs": [ - "sample_a_after_heat_treatment" - ] + "source": "2. Materials and Methods" } ] } @@ -13397,10 +11610,7 @@ "kind": "Press", "description": "tested at 0.01 s^-1 and compressed to a total strain of 0.6", "temperature": "1020 degree_Celsius", - "source": "2. Materials and Methods", - "inputs": [ - "sample_b_after_heat_treatment" - ] + "source": "2. Materials and Methods" } ] } From 14d020fe13266bad66617e5734dfb3c13a7ee489 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 23:27:04 -0400 Subject: [PATCH 15/22] fix bugs --- docs/user/core_concepts.rst | 4 +- docs/user/dataset.rst | 2 +- pyproject.toml | 1 + src/litxbench/core/eval.py | 77 ++++++++++++++++++++++++------------ src/litxbench/core/models.py | 4 +- uv.lock | 2 + 6 files changed, 61 insertions(+), 29 deletions(-) diff --git a/docs/user/core_concepts.rst b/docs/user/core_concepts.rst index 8691f66..36fdee5 100644 --- a/docs/user/core_concepts.rst +++ b/docs/user/core_concepts.rst @@ -150,12 +150,12 @@ Enumerations LitXBench uses canonical values (represented by enums) to ensure consistency. -- ``ProcessKind`` -- 40+ synthesis and processing steps (milling, melting, sintering, annealing, etc.) +- ``ProcessKind`` -- 38 synthesis and processing steps (milling, melting, sintering, annealing, etc.) - ``MeasurementMethod`` -- instruments and techniques (XRD, SEM, TEM, EDS, etc.) - ``CrysStruct`` -- crystal structures (FCC, BCC, HCP, L12, B2, etc.) - ``ConfigTag`` -- microstructural features (dendrite, matrix, precipitate, twin, etc.) - ``RawMaterialKind`` -- feedstock forms (powder, ingot, plate) -- ``AlloyMeasurementKind`` -- 80+ alloy-specific properties (hardness, yield strength, density, etc.) +- ``AlloyMeasurementKind`` -- 32 alloy-specific properties (hardness, yield strength, density, etc.) See :doc:`/api/enums` for the full listing. diff --git a/docs/user/dataset.rst b/docs/user/dataset.rst index 888c9d6..667204c 100644 --- a/docs/user/dataset.rst +++ b/docs/user/dataset.rst @@ -118,7 +118,7 @@ each containing multiple output materials with their measurements. doi = "doi_10_3390__e21020122" for exp in papers[doi]: print(f"Raw materials: {list(exp.raw_materials.keys())}") - print(f"Synthesis groups: {list(exp.synthesis_groups.keys())}") + print(f"Synthesis groups: {list(exp.synthesis_group_map.keys())}") for mat in exp.output_materials: print(f" Material: {mat.process}") print(f" Measurements: {len(mat.measurements)}") diff --git a/pyproject.toml b/pyproject.toml index 4c66dc3..624fb46 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -8,6 +8,7 @@ dependencies = [ "pymatgen>=2025.10.7", "pydantic>=2.12.5", "pint>=0.25.2", + "scipy>=1.14", ] license = "MIT" classifiers = [ diff --git a/src/litxbench/core/eval.py b/src/litxbench/core/eval.py index 82c5f49..f16a28f 100644 --- a/src/litxbench/core/eval.py +++ b/src/litxbench/core/eval.py @@ -537,8 +537,9 @@ def _compare_process_event_values(target_evt: ProcessEvent, extracted_evt: Proce # --------------------------------------------------------------------------- -def _normalize_unit(unit: pint.Unit) -> str: - return str(unit) +def _units_equal(a: pint.Unit, b: pint.Unit) -> bool: + """Check if two pint units are equivalent.""" + return a == b _CONTEXT_PUNCT_RE = re.compile(r"[()[\],:/+]") @@ -740,7 +741,7 @@ def measurement_score(a: Measurement[Any], b: Measurement[Any]) -> float: return 0.0 # unit - if _normalize_unit(a.unit) != _normalize_unit(b.unit): + if not _units_equal(a.unit, b.unit): return 0.0 # Blend qualifier with condition matching @@ -809,7 +810,7 @@ def _quantity_score(a: Quantity, b: Quantity) -> float: return 0.0 elif a.numeric_value != b.numeric_value: return 0.0 - if _normalize_unit(a.unit) != _normalize_unit(b.unit): + if not _units_equal(a.unit, b.unit): return 0.0 return _qualifier_compatibility(a.value_qualifier, b.value_qualifier) @@ -847,31 +848,57 @@ def match_comparable_items( target_items: list[ComparableItem], extracted_items: list[ComparableItem], ) -> MeasurementMatchResult: - """Match comparable items between two lists using best-score greedy matching. + """Match comparable items between two lists using Hungarian assignment. - For each target item, finds the highest-scoring unmatched extracted item. - Only matches if score >= MIN_ITEM_MATCH_SCORE. + Builds a score matrix and uses ``linear_sum_assignment`` to find the + optimal matching that maximises total score. Only pairs with + score >= MIN_ITEM_MATCH_SCORE are kept. """ - used_b = [False] * len(extracted_items) + n_target = len(target_items) + n_extracted = len(extracted_items) + + if n_target == 0: + return MeasurementMatchResult( + matched_pairs=[], + unmatched_target=[], + unmatched_extracted=list(extracted_items), + ) + if n_extracted == 0: + return MeasurementMatchResult( + matched_pairs=[], + unmatched_target=list(target_items), + unmatched_extracted=[], + ) + + # Build score matrix and convert to cost for minimisation. + size = max(n_target, n_extracted) + score_matrix: dict[tuple[int, int], float] = {} + cost_matrix = [[0.0] * size for _ in range(size)] + + for i in range(n_target): + for j in range(n_extracted): + score = _comparable_item_score(target_items[i], extracted_items[j]) + score_matrix[(i, j)] = score + # Hungarian minimises cost, so negate scores. Padding cells + # stay at 0.0 (equivalent to unmatched). + cost_matrix[i][j] = -score + + row_ind, col_ind = linear_sum_assignment(cost_matrix) + matched_pairs: list[tuple[ComparableItem, ComparableItem, float]] = [] - unmatched_target: list[ComparableItem] = [] - - for a in target_items: - best_j = -1 - best_score = 0.0 - for j, b in enumerate(extracted_items): - if not used_b[j]: - score = _comparable_item_score(a, b) - if score > best_score: - best_score = score - best_j = j - if best_j >= 0 and best_score >= MIN_ITEM_MATCH_SCORE: - used_b[best_j] = True - matched_pairs.append((a, extracted_items[best_j], best_score)) - else: - unmatched_target.append(a) + matched_target_indices: set[int] = set() + matched_extracted_indices: set[int] = set() - unmatched_extracted = [b for j, b in enumerate(extracted_items) if not used_b[j]] + for r, c in zip(row_ind, col_ind): + if r < n_target and c < n_extracted: + score = score_matrix[(r, c)] + if score >= MIN_ITEM_MATCH_SCORE: + matched_pairs.append((target_items[r], extracted_items[c], score)) + matched_target_indices.add(r) + matched_extracted_indices.add(c) + + unmatched_target = [target_items[i] for i in range(n_target) if i not in matched_target_indices] + unmatched_extracted = [extracted_items[j] for j in range(n_extracted) if j not in matched_extracted_indices] return MeasurementMatchResult( matched_pairs=matched_pairs, diff --git a/src/litxbench/core/models.py b/src/litxbench/core/models.py index 293f598..a11de54 100644 --- a/src/litxbench/core/models.py +++ b/src/litxbench/core/models.py @@ -209,8 +209,10 @@ def group_measurements( pressure: Quantity | None = None, # all must share the same pressure source: str | None = None, group_name: str | None = None, # all must share the same group name - values: list[CoreMeasurementValue] = field(default_factory=list), + values: list[CoreMeasurementValue] | None = None, ) -> list[Measurement[MeasurementMethodT]] | list[Measurement[Any]]: + if values is None: + values = [] measurements = [] if len(values) < 2: raise ValueError("At least two values must be provided") diff --git a/uv.lock b/uv.lock index 877c68a..2199b2e 100644 --- a/uv.lock +++ b/uv.lock @@ -1448,6 +1448,7 @@ dependencies = [ { name = "pint", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, { name = "pydantic", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, { name = "pymatgen", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, + { name = "scipy", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, ] [package.optional-dependencies] @@ -1480,6 +1481,7 @@ requires-dist = [ { name = "pymatgen", specifier = ">=2025.10.7" }, { name = "pytest", marker = "extra == 'dev'", specifier = ">=8" }, { name = "ruff", marker = "extra == 'dev'", specifier = ">=0.14" }, + { name = "scipy", specifier = ">=1.14" }, { name = "sphinx", marker = "extra == 'docs'", specifier = ">=7.0" }, { name = "sphinx-copybutton", marker = "extra == 'docs'" }, { name = "sphinx-design", marker = "extra == 'docs'" }, From e576ce9c8947909c7fb8c7cac7a7926bbf98f27d Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 23:37:13 -0400 Subject: [PATCH 16/22] new eval results --- .../combined_results/agentic_cli_run2.csv | 4 +- .../json_vs_code_comparison.csv | 4 +- .../paper/combined_results/knowmat2_run1.csv | 4 +- .../combined_results/zero_shot_json_run1.csv | 8 +- .../zero_shot_linear_run1.csv | 4 +- .../paper/combined_results/zero_shot_run1.csv | 8 +- .../paper/combined_results/zero_shot_run3.csv | 4 +- .../zero_shot_summary_with_ci.csv | 8 +- src/litxbench/core/eval.py | 152 +++++++++--------- 9 files changed, 97 insertions(+), 99 deletions(-) diff --git a/scripts/paper/combined_results/agentic_cli_run2.csv b/scripts/paper/combined_results/agentic_cli_run2.csv index 73122ff..d386a89 100644 --- a/scripts/paper/combined_results/agentic_cli_run2.csv +++ b/scripts/paper/combined_results/agentic_cli_run2.csv @@ -40,7 +40,7 @@ codex,doi_10_3390__met10111466,0.7261,0.7564,0.7377,39,31,21.00,7,6,6,1.8333,231 codex,doi_10_3390__met9030351,0.8259,0.6512,0.7237,14,11,8.30,4,3,3,2.0000,267134,3814,0.137236,,,,2.00,0,40,0.0000,0.8019,0.6873,0.7402,0.7545,0.5929,0.6640,0.5000,0.5000,0.5000,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 codex,OVERALL,0.7379,0.7123,0.7240,674,643,413.47,101,96,96,1.3854,6787385,113752,3.958964,0.0,0.0,0.0,1.47,0,1847,0.0000,0.6548,0.6641,0.6594,0.6430,0.6135,0.6279,0.6552,0.5337,0.5882,0.8113,0.7880,0.7995,1.0000,0.9505,0.9746 gemini_cli,doi_10_1016__j_proeng_2012_03_043,0.9500,0.8857,0.9154,12,16,11.20,4,4,4,0.0000,137012,1378,0.180780,,,,1.00,0,27,0.0000,0.9000,0.7714,0.8308,0.7000,0.9333,0.8000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini_cli,doi_10_1038__ncomms10602,0.9219,0.9821,0.9500,19,22,18.25,1,1,1,0.0000,140085,2512,0.127022,,,,3.00,0,47,0.0000,0.8438,0.9643,0.9000,0.8295,0.9605,0.8902,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini_cli,doi_10_1038__ncomms10602,0.9196,0.9796,0.9476,19,22,18.00,1,1,1,0.0000,140085,2512,0.127022,,,,3.00,0,47,0.0000,0.8393,0.9592,0.8952,0.8182,0.9474,0.8780,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__s41467_019_08460_2,0.6276,0.5140,0.5441,18,18,11.80,5,6,5,3.2000,103838,1988,0.114237,,,,2.00,0,50,0.0000,0.6022,0.4567,0.5194,0.6556,0.6556,0.6556,0.8000,0.2667,0.4000,0.4074,0.4783,0.4400,0.8333,1.0000,0.9091 gemini_cli,doi_10_1038__s41467_019_10533_1,0.9062,0.8898,0.8979,18,16,16.00,7,7,7,2.0000,257525,4943,0.371214,,,,2.00,0,51,0.0000,0.9125,0.8795,0.8957,1.0000,0.8889,0.9412,1.0000,1.0000,1.0000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__s41598_017_16509_9,0.8714,0.9256,0.8967,16,19,15.62,3,3,3,1.0000,149450,1955,0.124634,,,,1.00,0,37,0.0000,0.7949,0.9033,0.8456,0.8219,0.9760,0.8924,1.0000,1.0000,1.0000,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 @@ -58,4 +58,4 @@ gemini_cli,doi_10_3390__e21050448,0.7659,0.9247,0.8277,20,20,15.75,5,5,5,0.0000, gemini_cli,doi_10_3390__ma12071136,0.9317,0.7488,0.8203,53,55,41.00,5,5,5,3.0000,481926,4511,0.716952,,,,4.00,0,113,0.0000,0.8810,0.7450,0.8073,0.7455,0.7736,0.7593,0.9412,0.8421,0.8889,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gemini_cli,doi_10_3390__met10111466,0.6134,0.6709,0.6379,39,34,15.00,7,6,6,2.3333,188681,7704,0.227760,,,,3.00,0,94,0.0000,0.5797,0.6557,0.6154,0.4412,0.3846,0.4110,0.3125,0.4167,0.3571,0.6333,0.7600,0.6909,1.0000,0.8571,0.9231 gemini_cli,doi_10_3390__met9030351,0.7437,0.7430,0.7289,14,17,9.30,4,4,4,1.5000,166335,4976,0.172508,,,,3.00,0,50,0.0000,0.7125,0.7773,0.7435,0.5471,0.6643,0.6000,0.2500,0.5000,0.3333,1.0000,0.6471,0.7857,1.0000,1.0000,1.0000 -gemini_cli,OVERALL,0.7942,0.8124,0.8031,674,675,490.97,101,100,99,1.1717,4455012,86703,5.687524,0.0,0.0,0.0,2.58,0,1844,0.0000,0.7432,0.7621,0.7525,0.7274,0.7284,0.7279,0.7697,0.7697,0.7697,0.7932,0.8446,0.8181,0.9900,0.9802,0.9851 +gemini_cli,OVERALL,0.7941,0.8124,0.8030,674,675,490.72,101,100,99,1.1717,4455012,86703,5.687524,0.0,0.0,0.0,2.58,0,1844,0.0000,0.7431,0.7620,0.7524,0.7270,0.7281,0.7275,0.7697,0.7697,0.7697,0.7932,0.8446,0.8181,0.9900,0.9802,0.9851 diff --git a/scripts/paper/combined_results/json_vs_code_comparison.csv b/scripts/paper/combined_results/json_vs_code_comparison.csv index a77c82a..5764462 100644 --- a/scripts/paper/combined_results/json_vs_code_comparison.csv +++ b/scripts/paper/combined_results/json_vs_code_comparison.csv @@ -2,6 +2,6 @@ model output_json_f1 output_json_attempts output_code_f1 output_code_attempts Claude Haiku 4.5 0.6321 3.58 0.6488 +/- 0.0133 2.21 GPT 5 Mini Medium 0.6502 3.50 0.6731 +/- 0.0422 2.49 Gemini 3 Flash 0.7558 3.06 0.7371 +/- 0.0495 2.58 -Claude Opus 4.6 0.7173 2.16 0.7203 +/- 0.0400 1.53 -GPT 5.2 High 0.6899 1.95 0.7244 +/- 0.0215 1.46 +Claude Opus 4.6 0.7163 2.16 0.7208 +/- 0.0398 1.53 +GPT 5.2 High 0.6891 1.95 0.7244 +/- 0.0215 1.46 Gemini 3.1 Pro 0.7566 2.21 0.7701 +/- 0.0306 1.51 diff --git a/scripts/paper/combined_results/knowmat2_run1.csv b/scripts/paper/combined_results/knowmat2_run1.csv index 21d9c3a..58b5afd 100644 --- a/scripts/paper/combined_results/knowmat2_run1.csv +++ b/scripts/paper/combined_results/knowmat2_run1.csv @@ -1,6 +1,6 @@ model_name,doi,overall_precision,overall_recall,overall_f1,num_target_items,num_extracted_items,num_matched_items,num_target_materials,num_extracted_materials,num_matched_materials,avg_process_edit_distance,input_tokens,output_tokens,cost_usd,elapsed_seconds,avg_paper_time,max_paper_time,avg_attempts,num_hallucinated,num_total_numbers,hallucination_rate,value_precision,value_recall,value_f1,measurement_precision,measurement_recall,measurement_f1,config_precision,config_recall,config_f1,process_precision,process_recall,process_f1,material_precision,material_recall,material_f1 knowmat2,doi_10_1016__j_proeng_2012_03_043,0.9139,0.9065,0.9102,12,20,10.53,4,4,4,0.0000,0,0,0.000000,,,,1.00,0,31,0.0000,0.8279,0.8131,0.8204,0.5267,0.8778,0.6583,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -knowmat2,doi_10_1038__ncomms10602,0.6186,0.6611,0.6262,19,29,5.58,1,2,1,1.0000,0,0,0.000000,,,,1.00,0,38,0.0000,0.3872,0.3793,0.3832,0.1925,0.2939,0.2326,1.0000,1.0000,1.0000,1.0000,0.8571,0.9231,0.5000,1.0000,0.6667 +knowmat2,doi_10_1038__ncomms10602,0.6160,0.6585,0.6236,19,29,5.33,1,2,1,1.0000,0,0,0.000000,,,,1.00,0,38,0.0000,0.3819,0.3741,0.3780,0.1839,0.2807,0.2222,1.0000,1.0000,1.0000,1.0000,0.8571,0.9231,0.5000,1.0000,0.6667 knowmat2,doi_10_1038__s41467_019_08460_2,0.5397,0.3125,0.3107,18,13,1.00,5,1,1,3.0000,0,0,0.000000,,,,1.00,0,15,0.0000,0.3793,0.1250,0.1880,0.0769,0.0556,0.0645,0.6667,0.1333,0.2222,0.5000,1.0000,0.6667,1.0000,0.2000,0.3333 knowmat2,doi_10_1038__s41467_019_10533_1,0.6419,0.6733,0.6313,18,38,14.00,7,11,7,1.1429,0,0,0.000000,,,,1.00,0,81,0.0000,0.5619,0.7108,0.6277,0.3684,0.7778,0.5000,0.5000,0.1667,0.2500,0.9524,0.7143,0.8163,0.6364,1.0000,0.7778 knowmat2,doi_10_1038__s41598_017_16509_9,0.2812,0.1988,0.1518,16,28,0.00,3,8,3,6.6667,0,0,0.000000,,,,1.00,0,63,0.0000,0.0500,0.0455,0.0476,0.0000,0.0000,0.0000,0.0000,0.0000,0.0000,1.0000,0.1304,0.2308,0.3750,1.0000,0.5455 @@ -17,4 +17,4 @@ knowmat2,doi_10_3390__e21050448,0.3686,0.1693,0.2135,20,14,5.00,5,1,1,4.0000,0,0 knowmat2,doi_10_3390__ma12071136,0.6165,0.3982,0.4735,53,38,19.75,5,5,5,4.0000,0,0,0.000000,,,,1.00,0,52,0.0000,0.6235,0.3473,0.4461,0.5197,0.3726,0.4341,0.1429,0.0526,0.0769,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 knowmat2,doi_10_3390__met10111466,0.2703,0.1376,0.1725,39,33,3.00,7,2,2,2.5000,0,0,0.000000,,,,1.00,0,56,0.0000,0.0806,0.0562,0.0662,0.0909,0.0769,0.0833,0.0000,0.0000,0.0000,0.4000,0.3333,0.3636,1.0000,0.2857,0.4444 knowmat2,doi_10_3390__met9030351,0.3585,0.1599,0.2107,14,10,2.75,4,1,1,4.0000,0,0,0.000000,,,,1.00,0,15,0.0000,0.3370,0.1649,0.2214,0.2750,0.1964,0.2292,0.0000,0.0000,0.0000,0.2000,0.2000,0.2000,1.0000,0.2500,0.4000 -knowmat2,OVERALL,0.4965,0.4167,0.4489,606,740,236.42,95,86,56,2.0357,0,0,0.000000,0.0,0.0,0.0,1.00,0,1278,0.0000,0.4280,0.3676,0.3955,0.3195,0.3901,0.3513,0.2857,0.1078,0.1565,0.7101,0.6419,0.6743,0.6512,0.5895,0.6188 +knowmat2,OVERALL,0.4965,0.4167,0.4488,606,740,236.17,95,86,56,2.0357,0,0,0.000000,0.0,0.0,0.0,1.00,0,1278,0.0000,0.4278,0.3674,0.3953,0.3191,0.3897,0.3509,0.2857,0.1078,0.1565,0.7101,0.6419,0.6743,0.6512,0.5895,0.6188 diff --git a/scripts/paper/combined_results/zero_shot_json_run1.csv b/scripts/paper/combined_results/zero_shot_json_run1.csv index 07aa143..ecbff01 100644 --- a/scripts/paper/combined_results/zero_shot_json_run1.csv +++ b/scripts/paper/combined_results/zero_shot_json_run1.csv @@ -24,7 +24,7 @@ claude-opus-4-6,doi_10_1038__ncomms10602,0.3756,0.5167,0.4183,19,26,3.33,1,3,1,0 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8201,0.5927,0.6774,18,13,8.00,5,5,5,0.8000,17562,1458,0.124260,,,,1.00,0,41,0.0000,0.7403,0.4750,0.5787,0.6154,0.4444,0.5161,0.6667,0.2667,0.3810,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9490,0.8087,0.8700,18,19,18.00,7,7,7,1.0000,41630,3700,0.300650,,,,2.00,0,54,0.0000,0.9730,0.8675,0.9172,0.9474,1.0000,0.9730,0.7500,0.5000,0.6000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7467,0.6590,0.6891,16,21,12.12,3,3,3,4.0000,14340,2192,0.126500,,,,1.00,0,42,0.0000,0.6268,0.6268,0.6268,0.5770,0.7573,0.6550,0.6667,0.6667,0.6667,0.9167,0.4783,0.6286,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__s41598_019_43329_w,0.7860,0.7311,0.7567,44,40,35.25,5,5,5,0.0000,25224,3381,0.210645,,,,1.00,0,130,0.0000,0.8720,0.7622,0.8134,0.8812,0.8011,0.8393,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_1038__s41598_019_43329_w,0.7660,0.7136,0.7381,44,40,34.00,5,5,5,0.0000,25224,3381,0.210645,,,,1.00,0,130,0.0000,0.8320,0.7273,0.7761,0.8500,0.7727,0.8095,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1155__2019__2157592,0.8108,0.9860,0.8843,18,27,16.75,12,12,12,1.3333,46928,9100,0.462140,,,,3.00,0,97,0.0000,0.7670,0.9720,0.8574,0.6204,0.9306,0.7444,1.0000,1.0000,1.0000,0.6364,1.0000,0.7778,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__coatings9010016,0.6833,0.5262,0.5871,43,17,7.00,3,2,2,0.0000,35089,3852,0.271745,,,,2.00,0,59,0.0000,0.4416,0.3400,0.3842,0.4118,0.1628,0.2333,0.7500,0.3750,0.5000,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000 claude-opus-4-6,doi_10_3390__e16020870,0.9379,0.9513,0.9436,47,47,42.40,6,6,6,0.0000,16644,3220,0.163720,,,,1.00,0,150,0.0000,0.9219,0.9026,0.9122,0.9021,0.9021,0.9021,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ claude-opus-4-6,doi_10_3390__e21050448,0.3463,0.8609,0.4893,20,48,12.65,5,10,5,3 claude-opus-4-6,doi_10_3390__ma12071136,0.9252,0.7783,0.8341,53,50,47.80,5,5,5,3.0000,51478,7978,0.456840,,,,2.00,0,108,0.0000,0.8681,0.8040,0.8348,0.9560,0.9019,0.9282,0.9412,0.8421,0.8889,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.6333,0.4528,0.5085,39,8,3.00,7,3,3,1.6667,16103,1649,0.121740,,,,1.00,0,39,0.0000,0.6667,0.4078,0.5060,0.3750,0.0769,0.1277,0.0000,0.0000,0.0000,0.7500,0.9231,0.8276,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6243,0.5685,0.5911,14,15,7.30,4,3,3,1.0000,114953,12227,0.880440,,,,6.00,0,41,0.0000,0.5485,0.5921,0.5695,0.4867,0.5214,0.5034,0.0000,0.0000,0.0000,1.0000,0.8000,0.8889,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7405,0.7202,0.7297,674,634,415.54,101,99,92,1.1087,872781,123978,7.463355,0.0,0.0,0.0,2.16,0,1866,0.0000,0.6825,0.6889,0.6857,0.6554,0.6165,0.6354,0.5772,0.4831,0.5260,0.8665,0.8333,0.8496,0.9293,0.9109,0.9200 +claude-opus-4-6,OVERALL,0.7395,0.7191,0.7286,674,634,414.29,101,99,92,1.1087,872781,123978,7.463355,0.0,0.0,0.0,2.16,0,1866,0.0000,0.6804,0.6868,0.6836,0.6535,0.6147,0.6335,0.5772,0.4831,0.5260,0.8665,0.8333,0.8496,0.9293,0.9109,0.9200 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.9026,0.9673,0.9325,12,21,10.33,4,4,4,0.0000,9602,4514,0.018343,,,,1.00,0,39,0.0000,0.8051,0.9345,0.8650,0.4921,0.8611,0.6263,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__ncomms10602,0.6304,0.7677,0.6855,19,28,14.93,1,1,1,0.0000,60203,19083,0.087350,,,,3.00,0,66,0.0000,0.5607,0.8354,0.6710,0.5333,0.7860,0.6355,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.6097,0.4409,0.5075,18,23,5.82,5,4,4,1.5000,15742,8951,0.034724,,,,1.00,0,48,0.0000,0.3852,0.2751,0.3210,0.2529,0.3231,0.2837,0.7143,0.3333,0.4545,0.8000,0.6667,0.7273,1.0000,0.8000,0.8889 @@ -81,7 +81,7 @@ gpt-5-2-high,doi_10_1038__ncomms10602,0.6617,0.7634,0.7054,19,26,13.52,1,1,1,0.0 gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.7747,0.7104,0.7123,18,17,9.90,5,5,5,2.6000,15071,15486,0.173699,,,,1.00,0,51,0.0000,0.7539,0.6408,0.6928,0.5824,0.5500,0.5657,0.8000,0.2667,0.4000,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_10533_1,0.8650,0.8889,0.8707,18,18,16.00,7,7,7,1.0000,16896,9744,0.118560,,,,1.00,0,53,0.0000,0.8851,0.9277,0.9059,0.8889,0.8889,0.8889,0.7500,0.5000,0.6000,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_017_16509_9,0.6348,0.7225,0.6712,16,21,6.67,3,3,3,1.3333,12134,16387,0.179037,,,,1.00,0,50,0.0000,0.5241,0.7146,0.6047,0.3175,0.4167,0.3604,0.3333,0.3333,0.3333,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__s41598_019_43329_w,0.6703,0.8096,0.7293,44,39,33.25,5,5,5,1.0000,20278,26302,0.288367,,,,1.00,0,138,0.0000,0.5206,0.7063,0.5994,0.8526,0.7557,0.8012,0.7333,0.7097,0.7213,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__s41598_019_43329_w,0.6574,0.7921,0.7145,44,39,32.00,5,5,5,1.0000,20278,26302,0.288367,,,,1.00,0,138,0.0000,0.4948,0.6713,0.5697,0.8205,0.7273,0.7711,0.7333,0.7097,0.7213,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1155__2019__2157592,0.8158,0.9413,0.8693,18,17,17.00,12,12,12,1.6667,23395,15285,0.182094,,,,2.00,0,87,0.0000,0.8134,0.9397,0.8720,1.0000,0.9444,0.9714,1.0000,1.0000,1.0000,0.5455,0.8571,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__coatings9010016,0.2513,0.2640,0.2364,43,30,0.00,3,6,3,3.0000,32579,41832,0.459044,,,,2.00,0,89,0.0000,0.0526,0.0566,0.0545,0.0000,0.0000,0.0000,0.0000,0.0000,0.0000,0.7500,0.4286,0.5455,0.5000,1.0000,0.6667 gpt-5-2-high,doi_10_3390__e16020870,0.8275,0.8704,0.8477,47,54,32.00,6,6,6,0.0000,14246,15809,0.175898,,,,1.00,0,163,0.0000,0.6551,0.7408,0.6953,0.5926,0.6809,0.6337,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -95,7 +95,7 @@ gpt-5-2-high,doi_10_3390__e21050448,0.6658,0.8423,0.7370,20,22,13.23,5,6,5,0.400 gpt-5-2-high,doi_10_3390__ma12071136,0.6909,0.6401,0.6462,53,67,34.72,5,5,5,3.0000,73160,39082,0.482270,,,,3.00,0,137,0.0000,0.5151,0.6223,0.5636,0.5182,0.6551,0.5787,0.5556,0.5263,0.5405,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met10111466,0.5786,0.8198,0.6683,39,45,15.00,7,7,7,2.1429,32259,37401,0.414334,,,,2.00,0,116,0.0000,0.5131,0.7840,0.6203,0.3333,0.3846,0.3571,0.2581,0.6667,0.3721,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met9030351,0.6477,0.5418,0.5757,14,18,8.30,4,4,4,2.2500,78494,58915,0.687268,,,,5.00,0,49,0.0000,0.5955,0.5955,0.5955,0.4611,0.5929,0.5188,0.0000,0.0000,0.0000,1.0000,0.4706,0.6400,1.0000,1.0000,1.0000 -gpt-5-2-high,OVERALL,0.6319,0.7235,0.6736,674,757,380.47,101,109,101,1.1485,679488,527577,6.125130,0.0,0.0,0.0,1.95,0,2128,0.0000,0.5385,0.6569,0.5918,0.5026,0.5645,0.5318,0.3938,0.5000,0.4406,0.8231,0.8503,0.8365,0.9266,1.0000,0.9619 +gpt-5-2-high,OVERALL,0.6311,0.7225,0.6726,674,757,379.22,101,109,101,1.1485,679488,527577,6.125130,0.0,0.0,0.0,1.95,0,2128,0.0000,0.5368,0.6548,0.5900,0.5010,0.5626,0.5300,0.3938,0.5000,0.4406,0.8231,0.8503,0.8365,0.9266,1.0000,0.9619 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.7885,0.9315,0.8418,12,16,10.33,4,4,4,0.0000,9097,5259,0.063961,,,,1.00,0,39,0.0000,0.7436,0.8631,0.7989,0.6458,0.8611,0.7381,0.4444,1.0000,0.6154,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__ncomms10602,0.5641,0.7808,0.6498,19,30,14.22,1,1,1,3.0000,58488,16565,0.238760,,,,3.00,0,57,0.0000,0.5483,0.8616,0.6701,0.4739,0.7482,0.5803,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4841,0.5376,0.5035,18,36,5.57,5,4,4,2.0000,33351,12132,0.163009,,,,2.00,0,59,0.0000,0.3625,0.4151,0.3870,0.1548,0.3095,0.2064,0.0667,0.0667,0.0667,0.7143,1.0000,0.8333,1.0000,0.8000,0.8889 diff --git a/scripts/paper/combined_results/zero_shot_linear_run1.csv b/scripts/paper/combined_results/zero_shot_linear_run1.csv index 9d581ee..6e99fa7 100644 --- a/scripts/paper/combined_results/zero_shot_linear_run1.csv +++ b/scripts/paper/combined_results/zero_shot_linear_run1.csv @@ -20,7 +20,7 @@ claude-haiku-4-5,doi_10_3390__met10111466,0.5519,0.5090,0.5120,39,46,9.00,7,3,3, claude-haiku-4-5,doi_10_3390__met9030351,0.4174,0.5001,0.4375,14,28,5.50,4,3,3,2.0000,33020,5071,0.058375,,,,2.00,0,78,0.0000,0.2682,0.5086,0.3512,0.1964,0.3929,0.2619,0.0000,0.0000,0.0000,0.6667,0.6667,0.6667,1.0000,0.7500,0.8571 claude-haiku-4-5,OVERALL,0.5666,0.6278,0.5953,674,809,335.95,101,105,95,1.5789,1833772,275603,3.211787,0.0,0.0,0.0,3.47,0,2024,0.0000,0.4634,0.5397,0.4986,0.4153,0.4984,0.4531,0.3367,0.3708,0.3529,0.7433,0.8064,0.7735,0.9048,0.9406,0.9223 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9465,0.8827,0.9122,12,16,10.87,4,4,4,0.0000,25302,2508,0.189210,,,,2.00,0,27,0.0000,0.8931,0.7655,0.8244,0.6792,0.9056,0.7762,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.4414,0.6391,0.5054,19,30,9.33,1,3,1,0.0000,20224,3188,0.180820,,,,1.00,0,69,0.0000,0.3829,0.5782,0.4607,0.3111,0.4912,0.3810,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.4527,0.6561,0.5189,19,30,10.00,1,3,1,0.0000,20224,3188,0.180820,,,,1.00,0,69,0.0000,0.4054,0.6122,0.4878,0.3333,0.5263,0.4082,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8173,0.6094,0.6686,18,13,8.00,5,5,5,2.4000,18958,2003,0.144865,,,,1.00,0,41,0.0000,0.7531,0.5083,0.6070,0.6154,0.4444,0.5161,1.0000,0.2667,0.4211,0.7037,0.8261,0.7600,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,1.0000,0.8398,0.9094,18,18,18.00,7,7,7,1.0000,44285,3342,0.304975,,,,2.00,0,53,0.0000,1.0000,0.8795,0.9359,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7444,0.7737,0.7580,16,19,10.62,3,3,3,1.3333,15736,2009,0.128905,,,,1.00,0,37,0.0000,0.6934,0.7669,0.7283,0.5588,0.6635,0.6067,0.5000,0.5000,0.5000,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ claude-opus-4-6,doi_10_3390__e21050448,0.3856,0.8625,0.5208,20,50,13.40,5,10,5,1 claude-opus-4-6,doi_10_3390__ma12071136,0.9436,0.7802,0.8434,53,50,46.00,5,5,5,3.0000,88104,12255,0.746895,,,,3.00,0,108,0.0000,0.8872,0.7919,0.8369,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.7250,0.7363,0.7046,39,18,16.00,7,7,7,2.1429,17499,2678,0.154445,,,,1.00,0,94,0.0000,0.7333,0.7920,0.7615,0.8889,0.4103,0.5614,0.5000,0.0833,0.1429,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met9030351,0.7258,0.6512,0.6695,14,16,8.30,4,3,3,2.0000,32672,3901,0.260885,,,,2.00,0,42,0.0000,0.6766,0.6873,0.6819,0.5188,0.5929,0.5533,0.2500,0.5000,0.3333,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7418,0.7124,0.7260,674,637,415.97,101,101,94,1.3298,638169,97693,5.633170,0.0,0.0,0.0,1.58,0,1815,0.0000,0.6764,0.6702,0.6733,0.6530,0.6172,0.6346,0.6479,0.5169,0.5750,0.8343,0.8011,0.8173,0.9307,0.9307,0.9307 +claude-opus-4-6,OVERALL,0.7422,0.7128,0.7263,674,637,416.63,101,101,94,1.3298,638169,97693,5.633170,0.0,0.0,0.0,1.58,0,1815,0.0000,0.6771,0.6709,0.6740,0.6541,0.6182,0.6356,0.6479,0.5169,0.5750,0.8343,0.8011,0.8173,0.9307,0.9307,0.9307 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.9389,0.9702,0.9540,12,16,10.67,4,4,4,0.0000,10560,7705,0.028395,,,,1.00,0,35,0.0000,0.8778,0.9405,0.9080,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__ncomms10602,0.7000,0.7786,0.7353,19,23,15.00,1,1,1,0.0000,17756,14135,0.051283,,,,1.00,0,46,0.0000,0.7000,0.8571,0.7706,0.6522,0.7895,0.7143,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.7359,0.6217,0.6183,18,24,7.40,5,5,5,2.6000,16700,8081,0.032593,,,,1.00,0,54,0.0000,0.6163,0.5033,0.5541,0.3083,0.4111,0.3524,1.0000,0.1333,0.2353,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 diff --git a/scripts/paper/combined_results/zero_shot_run1.csv b/scripts/paper/combined_results/zero_shot_run1.csv index 8367c8c..6470096 100644 --- a/scripts/paper/combined_results/zero_shot_run1.csv +++ b/scripts/paper/combined_results/zero_shot_run1.csv @@ -12,13 +12,13 @@ claude-haiku-4-5,doi_10_3390__e18050189,0.9607,0.8583,0.9031,10,9,6.55,1,1,1,0.0 claude-haiku-4-5,doi_10_3390__e21010015,0.8197,0.9352,0.8657,68,78,59.33,6,6,6,2.0000,21943,5867,0.051278,,,,1.00,0,219,0.0000,0.7994,0.8976,0.8456,0.7607,0.8725,0.8128,1.0000,0.9091,0.9524,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020114,0.6189,0.5944,0.6050,98,95,39.40,7,7,7,0.0000,49166,9300,0.095666,,,,2.00,0,170,0.0000,0.4252,0.3603,0.3901,0.4147,0.4020,0.4083,0.3750,0.4286,0.4000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020122,0.6341,0.6906,0.6602,31,25,23.00,8,8,8,1.0000,29547,4346,0.051277,,,,2.00,0,77,0.0000,0.7282,0.7812,0.7538,0.9200,0.7419,0.8214,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_3390__e21020169,0.6859,0.5757,0.6237,63,54,30.17,7,5,5,1.2000,46831,14111,0.117386,,,,2.00,0,192,0.0000,0.5317,0.4905,0.5103,0.5586,0.4788,0.5157,0.5000,0.3333,0.4000,0.9750,0.8667,0.9176,1.0000,0.7143,0.8333 +claude-haiku-4-5,doi_10_3390__e21020169,0.6853,0.5752,0.6231,63,54,29.92,7,5,5,1.2000,46831,14111,0.117386,,,,2.00,0,192,0.0000,0.5306,0.4895,0.5092,0.5540,0.4749,0.5114,0.5000,0.3333,0.4000,0.9750,0.8667,0.9176,1.0000,0.7143,0.8333 claude-haiku-4-5,doi_10_3390__e21030288,0.4092,0.4056,0.4073,43,48,3.00,5,5,5,0.0000,86931,15126,0.162561,,,,3.00,0,123,0.0000,0.1184,0.1111,0.1146,0.0625,0.0698,0.0659,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21050448,0.3290,0.6237,0.4265,20,56,7.50,5,10,5,1.8000,82688,15759,0.161483,,,,4.00,0,146,0.0000,0.2472,0.5724,0.3452,0.1339,0.3750,0.1974,0.0000,0.0000,0.0000,0.6522,0.9375,0.7692,0.5000,1.0000,0.6667 claude-haiku-4-5,doi_10_3390__ma12071136,0.6490,0.5460,0.5879,53,31,18.00,5,5,5,1.0000,25063,2950,0.039813,,,,1.00,0,64,0.0000,0.6346,0.4430,0.5217,0.5806,0.3396,0.4286,0.1000,0.0526,0.0690,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__met10111466,0.5801,0.5929,0.5722,39,39,12.00,7,4,4,2.0000,38820,7584,0.076740,,,,2.00,0,73,0.0000,0.5405,0.5660,0.5530,0.3077,0.3077,0.3077,0.1765,0.2500,0.2069,0.6667,0.9333,0.7778,1.0000,0.5714,0.7273 claude-haiku-4-5,doi_10_3390__met9030351,0.5099,0.5001,0.4932,14,23,5.50,4,3,3,1.6667,52434,6765,0.086259,,,,3.00,0,53,0.0000,0.3642,0.5086,0.4245,0.2391,0.3929,0.2973,0.0000,0.0000,0.0000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -claude-haiku-4-5,OVERALL,0.6268,0.6335,0.6291,674,742,350.72,101,99,93,1.1290,801223,126606,1.434253,0.0,0.0,0.0,1.95,0,1861,0.0000,0.5261,0.5505,0.5380,0.4727,0.5204,0.4954,0.4296,0.3427,0.3812,0.7920,0.8438,0.8171,0.9394,0.9208,0.9300 +claude-haiku-4-5,OVERALL,0.6267,0.6335,0.6291,674,742,350.47,101,99,93,1.1290,801223,126606,1.434253,0.0,0.0,0.0,1.95,0,1861,0.0000,0.5260,0.5504,0.5379,0.4723,0.5200,0.4950,0.4296,0.3427,0.3812,0.7920,0.8438,0.8171,0.9394,0.9208,0.9300 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.7783,0.9101,0.8296,12,16,10.93,4,4,4,0.0000,20921,5764,0.083791,,,,2.00,0,35,0.0000,0.7067,0.8202,0.7592,0.6833,0.9111,0.7810,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__ncomms10602,0.6314,0.7820,0.6961,19,24,16.33,1,1,1,3.0000,56308,12414,0.194525,,,,3.00,0,48,0.0000,0.6828,0.8639,0.7628,0.6806,0.8596,0.7597,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4909,0.5410,0.5065,18,36,9.25,5,4,4,4.0000,34209,8795,0.130711,,,,2.00,0,60,0.0000,0.3926,0.4487,0.4187,0.2569,0.5139,0.3426,0.2500,0.2000,0.2222,0.5357,0.8333,0.6522,1.0000,0.8000,0.8889 @@ -60,7 +60,7 @@ gemini-3-flash,doi_10_3390__met10111466,0.7928,0.7899,0.7890,39,36,23.00,7,6,6,0 gemini-3-flash,doi_10_3390__met9030351,0.6272,0.6553,0.6223,14,21,6.80,4,3,3,1.6667,45826,18193,0.077492,,,,3.00,0,50,0.0000,0.5389,0.6690,0.5969,0.3238,0.4857,0.3886,0.2000,0.5000,0.2857,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 gemini-3-flash,OVERALL,0.7247,0.7207,0.7217,674,774,438.83,101,98,97,1.2784,1084407,401363,1.746293,0.0,0.0,0.0,2.63,0,1953,0.0000,0.6416,0.6852,0.6627,0.5670,0.6511,0.6061,0.5921,0.5056,0.5455,0.8329,0.7910,0.8114,0.9898,0.9604,0.9749 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9315,0.9315,0.9315,12,16,10.33,4,4,4,0.0000,25490,2914,0.200300,,,,2.00,0,35,0.0000,0.8631,0.8631,0.8631,0.6458,0.8611,0.7381,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.4785,0.6391,0.5303,19,27,9.33,1,3,1,0.0000,20217,2603,0.166160,,,,1.00,0,63,0.0000,0.4570,0.5782,0.5105,0.3457,0.4912,0.4058,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.4919,0.6561,0.5453,19,27,10.00,1,3,1,0.0000,20217,2603,0.166160,,,,1.00,0,63,0.0000,0.4839,0.6122,0.5405,0.3704,0.5263,0.4348,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8918,0.6131,0.7052,18,17,8.90,5,5,5,0.8000,18951,2195,0.149630,,,,1.00,0,47,0.0000,0.7835,0.5158,0.6221,0.5235,0.4944,0.5086,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9057,0.8337,0.8644,18,18,18.00,7,7,7,2.0000,21221,1544,0.144705,,,,1.00,0,53,0.0000,0.9114,0.8675,0.8889,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7114,0.7574,0.7329,16,19,10.62,3,3,3,1.0000,15729,1969,0.127870,,,,1.00,0,37,0.0000,0.6749,0.7669,0.7180,0.5588,0.6635,0.6067,0.3333,0.3333,0.3333,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 @@ -78,7 +78,7 @@ claude-opus-4-6,doi_10_3390__e21050448,0.3481,0.6434,0.4484,20,47,9.50,5,10,5,1. claude-opus-4-6,doi_10_3390__ma12071136,0.9444,0.7869,0.8475,53,50,46.00,5,5,5,3.0000,88261,12305,0.748930,,,,3.00,0,108,0.0000,0.8889,0.8054,0.8451,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.5060,0.4528,0.4542,39,14,3.00,7,3,3,2.6667,17492,2594,0.152310,,,,1.00,0,49,0.0000,0.4719,0.4078,0.4375,0.2143,0.0769,0.1132,0.0000,0.0000,0.0000,0.6000,0.9231,0.7273,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6981,0.6512,0.6491,14,14,8.30,4,3,3,2.0000,32630,3873,0.259975,,,,2.00,0,43,0.0000,0.6463,0.6873,0.6662,0.5929,0.5929,0.5929,0.1667,0.5000,0.2500,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7198,0.7000,0.7088,674,649,395.68,101,98,91,1.0769,601269,95672,5.398145,0.0,0.0,0.0,1.53,0,1819,0.0000,0.6461,0.6469,0.6465,0.6097,0.5871,0.5982,0.5887,0.4663,0.5204,0.8459,0.8575,0.8517,0.9286,0.9010,0.9146 +claude-opus-4-6,OVERALL,0.7201,0.7004,0.7092,674,649,396.35,101,98,91,1.0769,601269,95672,5.398145,0.0,0.0,0.0,1.53,0,1819,0.0000,0.6468,0.6476,0.6472,0.6107,0.5881,0.5992,0.5887,0.4663,0.5204,0.8459,0.8575,0.8517,0.9286,0.9010,0.9146 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.8343,0.9970,0.8989,12,12,11.67,4,4,4,0.0000,9863,8587,0.098199,,,,1.00,0,35,0.0000,0.8186,0.9940,0.8978,0.9722,0.9722,0.9722,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__ncomms10602,0.6651,0.7616,0.7069,19,26,14.33,1,1,1,0.0000,16657,13412,0.154941,,,,1.00,0,54,0.0000,0.6302,0.8231,0.7139,0.5513,0.7544,0.6370,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.8195,0.6896,0.7292,18,19,8.90,5,6,5,0.0000,15837,15310,0.172896,,,,1.00,0,58,0.0000,0.7490,0.5992,0.6657,0.4684,0.4944,0.4811,0.8000,0.2667,0.4000,1.0000,1.0000,1.0000,0.8333,1.0000,0.9091 diff --git a/scripts/paper/combined_results/zero_shot_run3.csv b/scripts/paper/combined_results/zero_shot_run3.csv index dd92df4..ff3520f 100644 --- a/scripts/paper/combined_results/zero_shot_run3.csv +++ b/scripts/paper/combined_results/zero_shot_run3.csv @@ -60,7 +60,7 @@ gemini-3-flash,doi_10_3390__met10111466,0.8154,0.7149,0.7414,39,37,23.00,7,6,6,0 gemini-3-flash,doi_10_3390__met9030351,0.6548,0.6553,0.6414,14,19,6.80,4,3,3,1.6667,45421,24604,0.096522,,,,3.00,0,48,0.0000,0.5791,0.6690,0.6208,0.3579,0.4857,0.4121,0.2500,0.5000,0.3333,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 gemini-3-flash,OVERALL,0.7099,0.7326,0.7197,674,792,428.73,101,107,99,0.8586,1307897,482232,2.100644,0.0,0.0,0.0,3.05,0,2068,0.0000,0.6313,0.7026,0.6651,0.5413,0.6361,0.5849,0.5192,0.4551,0.4850,0.8880,0.8298,0.8579,0.9252,0.9802,0.9519 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9315,0.9315,0.9315,12,16,10.33,4,4,4,0.0000,25320,2574,0.190950,,,,2.00,0,35,0.0000,0.8631,0.8631,0.8631,0.6458,0.8611,0.7381,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.4551,0.6179,0.5073,19,26,7.25,1,3,1,0.0000,20217,2986,0.175735,,,,1.00,0,61,0.0000,0.4102,0.5357,0.4646,0.2788,0.3816,0.3222,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.4681,0.6349,0.5221,19,26,7.92,1,3,1,0.0000,20217,2986,0.175735,,,,1.00,0,61,0.0000,0.4362,0.5697,0.4941,0.3045,0.4167,0.3519,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.9389,0.6368,0.7372,18,15,11.83,5,5,5,0.8000,40173,4039,0.301840,,,,2.00,0,45,0.0000,0.8777,0.5632,0.6861,0.7889,0.6574,0.7172,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9057,0.8337,0.8644,18,18,18.00,7,7,7,2.0000,21221,1544,0.144705,,,,1.00,0,53,0.0000,0.9114,0.8675,0.8889,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7069,0.7574,0.7304,16,20,10.62,3,3,3,1.0000,15729,2094,0.130995,,,,1.00,0,38,0.0000,0.6660,0.7669,0.7129,0.5308,0.6635,0.5898,0.3333,0.3333,0.3333,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 @@ -78,7 +78,7 @@ claude-opus-4-6,doi_10_3390__e21050448,0.5750,0.8743,0.6774,20,27,13.50,5,10,5,0 claude-opus-4-6,doi_10_3390__ma12071136,0.8392,0.7234,0.7690,53,50,45.00,5,5,5,4.0000,87934,12123,0.742745,,,,3.00,0,108,0.0000,0.8284,0.7450,0.7845,0.9000,0.8491,0.8738,0.9444,0.8947,0.9189,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.6422,0.5696,0.5825,39,21,13.00,7,3,3,2.6667,17492,3087,0.164635,,,,1.00,0,61,0.0000,0.5745,0.5143,0.5427,0.6190,0.3333,0.4333,0.5000,0.4167,0.4545,0.6500,0.9286,0.7647,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6716,0.6512,0.6345,14,17,8.30,4,3,3,2.0000,52058,6124,0.413390,,,,3.00,0,43,0.0000,0.5932,0.6873,0.6368,0.4882,0.5929,0.5355,0.1667,0.5000,0.2500,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7516,0.7184,0.7343,674,639,415.93,101,97,90,1.0889,601004,94502,5.367570,0.0,0.0,0.0,1.53,0,1804,0.0000,0.6763,0.6677,0.6720,0.6509,0.6171,0.6336,0.6433,0.6180,0.6304,0.8889,0.7912,0.8372,0.9278,0.8911,0.9091 +claude-opus-4-6,OVERALL,0.7519,0.7188,0.7347,674,639,416.60,101,97,90,1.0889,601004,94502,5.367570,0.0,0.0,0.0,1.53,0,1804,0.0000,0.6770,0.6684,0.6727,0.6520,0.6181,0.6346,0.6433,0.6180,0.6304,0.8889,0.7912,0.8372,0.9278,0.8911,0.9091 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.8026,0.9315,0.8528,12,16,10.33,4,4,4,0.0000,9863,7642,0.088749,,,,1.00,0,39,0.0000,0.7552,0.8631,0.8056,0.6458,0.8611,0.7381,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__ncomms10602,0.6254,0.7378,0.6720,19,27,13.00,1,1,1,0.0000,16657,16808,0.188901,,,,1.00,0,57,0.0000,0.5507,0.7755,0.6441,0.4815,0.6842,0.5652,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.8375,0.6136,0.6981,18,16,9.00,5,5,5,0.8000,15837,13998,0.159776,,,,1.00,0,44,0.0000,0.7750,0.5167,0.6200,0.5625,0.5000,0.5294,0.6667,0.2667,0.3810,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 diff --git a/scripts/paper/combined_results/zero_shot_summary_with_ci.csv b/scripts/paper/combined_results/zero_shot_summary_with_ci.csv index de3502c..2116094 100644 --- a/scripts/paper/combined_results/zero_shot_summary_with_ci.csv +++ b/scripts/paper/combined_results/zero_shot_summary_with_ci.csv @@ -1,11 +1,11 @@ method overall_precision overall_recall overall_f1 meas_f1 process_f1 material_f1 config_f1 avg_attempts cost_usd -KnowMat2 0.5231 0.4286 0.4320 +/- 0.2910 0.2761 0.6592 0.6589 0.1876 1.00 0 -Claude Haiku 4.5 0.6395 0.6837 0.6488 +/- 0.0133 0.5001 0.8426 0.9380 0.3840 2.21 1.7177 +KnowMat2 0.5231 0.4286 0.4320 +/- 0.2916 0.2758 0.6592 0.6589 0.1876 1.00 0 +Claude Haiku 4.5 0.6395 0.6837 0.6488 +/- 0.0133 0.5000 0.8426 0.9380 0.3840 2.21 1.7177 GPT 5 Mini Medium 0.6674 0.6988 0.6731 +/- 0.0422 0.5081 0.8422 0.9422 0.4051 2.49 3.46597 Gemini 3 Flash 0.7399 0.7555 0.7371 +/- 0.0495 0.6075 0.8560 0.9692 0.5166 2.58 1.73078 -Claude Opus 4.6 0.7439 0.7241 0.7203 +/- 0.0400 0.6097 0.8611 0.9081 0.5388 1.53 5.37406 +Claude Opus 4.6 0.7444 0.7247 0.7208 +/- 0.0398 0.6108 0.8611 0.9081 0.5388 1.53 5.37406 GPT 5.2 High 0.7047 0.7707 0.7244 +/- 0.0215 0.6393 0.8541 0.9695 0.4881 1.46 4.99104 Gemini 3.1 Pro 0.7920 0.7681 0.7701 +/- 0.0306 0.7044 0.8343 0.9642 0.5969 1.51 4.17163 Claude Code (Opus 4.6) 0.8049 0.7734 0.7754 +/- 0.0035 0.7028 0.8763 0.9434 0.5550 1.26 26.1145 Codex (GPT 5.2 Codex High) 0.7551 0.7224 0.7246 +/- 0.0089 0.6640 0.8234 0.9508 0.5189 1.49 4.17361 -Gemini CLI (Gemini-3.1 Pro Preview) 0.8014 0.8075 0.7952 +/- 0.0377 0.7379 0.8354 0.9777 0.6834 2.47 6.45507 +Gemini CLI (Gemini-3.1 Pro Preview) 0.8014 0.8074 0.7951 +/- 0.0375 0.7377 0.8354 0.9777 0.6834 2.47 6.45507 diff --git a/src/litxbench/core/eval.py b/src/litxbench/core/eval.py index f16a28f..a5dd479 100644 --- a/src/litxbench/core/eval.py +++ b/src/litxbench/core/eval.py @@ -844,6 +844,37 @@ def _comparable_item_score(a: ComparableItem, b: ComparableItem) -> float: return context_score * item_score +def _hungarian_match( + cost_matrix: list[list[float]], + n_rows: int, + n_cols: int, + max_cost: float, +) -> tuple[list[tuple[int, int, float]], list[int], list[int]]: + """Run Hungarian algorithm and return matched/unmatched indices. + + Pairs with ``cost_matrix[r][c] < max_cost`` are considered matched. + + Returns ``(matched, unmatched_rows, unmatched_cols)`` where *matched* + entries are ``(row_idx, col_idx, cost)``. + """ + row_ind, col_ind = linear_sum_assignment(cost_matrix) + + matched: list[tuple[int, int, float]] = [] + matched_row_set: set[int] = set() + matched_col_set: set[int] = set() + + for r, c in zip(row_ind, col_ind): + if r < n_rows and c < n_cols and cost_matrix[r][c] < max_cost: + matched.append((r, c, cost_matrix[r][c])) + matched_row_set.add(r) + matched_col_set.add(c) + + unmatched_rows = [i for i in range(n_rows) if i not in matched_row_set] + unmatched_cols = [j for j in range(n_cols) if j not in matched_col_set] + + return matched, unmatched_rows, unmatched_cols + + def match_comparable_items( target_items: list[ComparableItem], extracted_items: list[ComparableItem], @@ -870,40 +901,23 @@ def match_comparable_items( unmatched_extracted=[], ) - # Build score matrix and convert to cost for minimisation. + # Build cost matrix (negated scores) for minimisation. + # Padding cells stay at 0.0 (equivalent to unmatched). size = max(n_target, n_extracted) - score_matrix: dict[tuple[int, int], float] = {} cost_matrix = [[0.0] * size for _ in range(size)] for i in range(n_target): for j in range(n_extracted): - score = _comparable_item_score(target_items[i], extracted_items[j]) - score_matrix[(i, j)] = score - # Hungarian minimises cost, so negate scores. Padding cells - # stay at 0.0 (equivalent to unmatched). - cost_matrix[i][j] = -score + cost_matrix[i][j] = -_comparable_item_score(target_items[i], extracted_items[j]) - row_ind, col_ind = linear_sum_assignment(cost_matrix) - - matched_pairs: list[tuple[ComparableItem, ComparableItem, float]] = [] - matched_target_indices: set[int] = set() - matched_extracted_indices: set[int] = set() - - for r, c in zip(row_ind, col_ind): - if r < n_target and c < n_extracted: - score = score_matrix[(r, c)] - if score >= MIN_ITEM_MATCH_SCORE: - matched_pairs.append((target_items[r], extracted_items[c], score)) - matched_target_indices.add(r) - matched_extracted_indices.add(c) - - unmatched_target = [target_items[i] for i in range(n_target) if i not in matched_target_indices] - unmatched_extracted = [extracted_items[j] for j in range(n_extracted) if j not in matched_extracted_indices] + matched, unmatched_row_ids, unmatched_col_ids = _hungarian_match( + cost_matrix, n_target, n_extracted, max_cost=-MIN_ITEM_MATCH_SCORE, + ) return MeasurementMatchResult( - matched_pairs=matched_pairs, - unmatched_target=unmatched_target, - unmatched_extracted=unmatched_extracted, + matched_pairs=[(target_items[r], extracted_items[c], -cost) for r, c, cost in matched], + unmatched_target=[target_items[i] for i in unmatched_row_ids], + unmatched_extracted=[extracted_items[j] for j in unmatched_col_ids], ) @@ -1196,37 +1210,31 @@ def match_configurations( meas_results[(i, j)] = meas_result breakdown_map[(i, j)] = breakdown - row_ind, col_ind = linear_sum_assignment(cost_matrix) + matched, unmatched_row_ids, unmatched_col_ids = _hungarian_match( + cost_matrix, n_target, n_extracted, max_cost=CONFIG_UNMATCHED_PENALTY, + ) + max_weight = ( + CONFIG_TAGS_WEIGHT + + CONFIG_STRUCT_WEIGHT + + CONFIG_NAME_WEIGHT + + CONFIG_MEASUREMENT_WEIGHT + + CONFIG_WITHIN_WEIGHT + ) matched_pairs: list[tuple[Configuration, Configuration, float]] = [] nested_results: list[MeasurementMatchResult] = [] breakdowns: list[ConfigScoreBreakdown] = [] - matched_target_indices: set[int] = set() - matched_extracted_indices: set[int] = set() - for r, c in zip(row_ind, col_ind): - if r < n_target and c < n_extracted and cost_matrix[r][c] < CONFIG_UNMATCHED_PENALTY: - score = 1.0 - cost_matrix[r][c] / ( - CONFIG_TAGS_WEIGHT - + CONFIG_STRUCT_WEIGHT - + CONFIG_NAME_WEIGHT - + CONFIG_MEASUREMENT_WEIGHT - + CONFIG_WITHIN_WEIGHT - ) - score = max(0.0, score) - matched_pairs.append((target_configs[r], extracted_configs[c], score)) - nested_results.append(meas_results[(r, c)]) - breakdowns.append(breakdown_map[(r, c)]) - matched_target_indices.add(r) - matched_extracted_indices.add(c) - - unmatched_target = [target_configs[i] for i in range(n_target) if i not in matched_target_indices] - unmatched_extracted = [extracted_configs[j] for j in range(n_extracted) if j not in matched_extracted_indices] + for r, c, cost in matched: + score = max(0.0, 1.0 - cost / max_weight) + matched_pairs.append((target_configs[r], extracted_configs[c], score)) + nested_results.append(meas_results[(r, c)]) + breakdowns.append(breakdown_map[(r, c)]) return ConfigurationMatchResult( matched_pairs=matched_pairs, - unmatched_target=unmatched_target, - unmatched_extracted=unmatched_extracted, + unmatched_target=[target_configs[i] for i in unmatched_row_ids], + unmatched_extracted=[extracted_configs[j] for j in unmatched_col_ids], nested_measurement_results=nested_results, breakdowns=breakdowns, ) @@ -1376,42 +1384,32 @@ def compare_experiments( cost_matrix[i][j] = result.cost cost_results[(i, j)] = result - row_ind, col_ind = linear_sum_assignment(cost_matrix) + matched, unmatched_row_ids, unmatched_col_ids = _hungarian_match( + cost_matrix, n_target, n_extracted, max_cost=UNMATCHED_PENALTY, + ) matched_materials: list[MaterialMatchResult] = [] - matched_target_indices: set[int] = set() - matched_extracted_indices: set[int] = set() total_cost = 0.0 - for r, c in zip(row_ind, col_ind): - # Only count as a match if both indices are real (not padding) - # and cost is below the unmatched penalty - if r < n_target and c < n_extracted and cost_matrix[r][c] < UNMATCHED_PENALTY: - result = cost_results[(r, c)] - matched_materials.append( - MaterialMatchResult( - target=target_items[r].material, - extracted=extracted_items[c].material, - cost=result.cost, - process_edit_distance=result.process_edit_distance, - measurement_result=result.measurement_result, - process_alignment=result.process_alignment, - config_match=result.config_match, - ) + for r, c, cost in matched: + result = cost_results[(r, c)] + matched_materials.append( + MaterialMatchResult( + target=target_items[r].material, + extracted=extracted_items[c].material, + cost=result.cost, + process_edit_distance=result.process_edit_distance, + measurement_result=result.measurement_result, + process_alignment=result.process_alignment, + config_match=result.config_match, ) - matched_target_indices.add(r) - matched_extracted_indices.add(c) - total_cost += result.cost - - unmatched_target = [target_items[i].material for i in range(n_target) if i not in matched_target_indices] - unmatched_extracted = [ - extracted_items[j].material for j in range(n_extracted) if j not in matched_extracted_indices - ] + ) + total_cost += result.cost return ExperimentComparisonResult( matched_materials=matched_materials, - unmatched_target_materials=unmatched_target, - unmatched_extracted_materials=unmatched_extracted, + unmatched_target_materials=[target_items[i].material for i in unmatched_row_ids], + unmatched_extracted_materials=[extracted_items[j].material for j in unmatched_col_ids], total_cost=total_cost, ) From f061041aae8d9dea21745f8ddfeb50b4e975bfde Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Thu, 9 Apr 2026 23:48:09 -0400 Subject: [PATCH 17/22] added TODO consideration for align proces events --- src/litxbench/core/eval.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/src/litxbench/core/eval.py b/src/litxbench/core/eval.py index a5dd479..d1ef28a 100644 --- a/src/litxbench/core/eval.py +++ b/src/litxbench/core/eval.py @@ -290,6 +290,11 @@ def _levenshtein_dp( return dp +# TODO: In a future version of LitXAlloy we need to also consider +# how input materials affect the score. +# This is a nontrivial consideration as we need to first construct +# the forest of all the materials. Then similar to how we calculate +# the Configurations score, we need to identify the graph Markov equivalence. def align_process_events( target_events: Sequence[ProcessEvent], extracted_events: Sequence[ProcessEvent], From aa62d20c145721ab66b5532379993a78a5392c9b Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Fri, 10 Apr 2026 01:04:01 -0400 Subject: [PATCH 18/22] fixg --- docs/index.rst | 40 ++++++++++++++--------------- src/litxbench/litxalloy/__init__.py | 2 +- 2 files changed, 21 insertions(+), 21 deletions(-) diff --git a/docs/index.rst b/docs/index.rst index 56dbc5a..7ed8236 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -57,8 +57,8 @@ LitXBench 0.68 2.47 6.46 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 Claude Code (Opus 4.6) @@ -71,8 +71,8 @@ LitXBench 0.56 1.26 26.11 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 Gemini 3.1 Pro Preview @@ -85,8 +85,8 @@ LitXBench 0.60 1.51 4.17 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 Gemini 3 Flash Preview @@ -99,8 +99,8 @@ LitXBench 0.52 2.58 1.73 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 Claude Opus 4.6 @@ -113,8 +113,8 @@ LitXBench 0.54 1.53 5.37 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 GPT-5.2 High @@ -127,8 +127,8 @@ LitXBench 0.49 1.46 4.99 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 Codex (GPT-5.2 Codex High) @@ -141,8 +141,8 @@ LitXBench 0.52 1.49 4.17 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 GPT-5 Mini Medium @@ -155,8 +155,8 @@ LitXBench 0.41 2.49 3.47 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 Claude Haiku 4.5 @@ -169,8 +169,8 @@ LitXBench 0.38 2.21 1.72 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 KnowMat2 (GPT-5.2 High) @@ -183,8 +183,8 @@ LitXBench 0.19 — 19.40 - code run paper pr - 0.1.0 + code run paper pr + 0.1.1 diff --git a/src/litxbench/litxalloy/__init__.py b/src/litxbench/litxalloy/__init__.py index 155b5d2..e809baa 100644 --- a/src/litxbench/litxalloy/__init__.py +++ b/src/litxbench/litxalloy/__init__.py @@ -5,7 +5,7 @@ # every time the data changes or the evaluation changes. It's separate from # LitXBench to insulate leaderboard versions from changing when minor LitXBench # changes are made -__version__ = "0.1.0" +__version__ = "0.1.1" from litxbench.core.extraction_utils import ( # noqa: F401 balance_composition, From b98b089012510138e96409b5000bc036d8b5b6f7 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Fri, 10 Apr 2026 10:38:27 -0400 Subject: [PATCH 19/22] more issues --- README.md | 2 +- docs/user/building_extractions.rst | 3 +- docs/user/core_concepts.rst | 2 +- pyproject.toml | 1 + .../benchmarks/tasks/zero_shot_agentic_cli.py | 2 +- scripts/transcribe_pdfs.py | 2 +- src/litxbench/__init__.py | 2 + src/litxbench/core/enums.py | 2 +- src/litxbench/core/eval.py | 53 ++++++++++++------- src/litxbench/core/models.py | 8 +-- src/litxbench/core/validators.py | 2 +- tests/test_eval.py | 32 ++++++++++- uv.lock | 2 + 13 files changed, 82 insertions(+), 31 deletions(-) diff --git a/README.md b/README.md index b25f0f4..ae7a86d 100644 --- a/README.md +++ b/README.md @@ -135,7 +135,7 @@ A complete end-to-end example is available at [`examples/usage.py`](examples/usa # Paper Evaluation Scripts Warning -For the evaluation scripts used in the paper, LitXBench intructs LLMs to format the extracted materials as code. This code is run by LitXBench via Python `exec`. Do NOT call untrusted LLMs as they may generate untrusted code which could be executed on your machine. +For the evaluation scripts used in the paper, LitXBench instructs LLMs to format the extracted materials as code. This code is run by LitXBench via Python `exec`. Do NOT call untrusted LLMs as they may generate untrusted code which could be executed on your machine. # Citation diff --git a/docs/user/building_extractions.rst b/docs/user/building_extractions.rst index 5d9a465..0e372a4 100644 --- a/docs/user/building_extractions.rst +++ b/docs/user/building_extractions.rst @@ -108,7 +108,8 @@ as a single logical measurement. .. code-block:: python - from litxbench import Measurement, CoreMeasurementValue, MeasurementStatistic + from litxbench import Measurement + from litxbench.core.models import CoreMeasurementValue, MeasurementStatistic *Measurement.group_measurements( kind=PhaseMeasurementKind.phase_size, diff --git a/docs/user/core_concepts.rst b/docs/user/core_concepts.rst index 36fdee5..84f15b2 100644 --- a/docs/user/core_concepts.rst +++ b/docs/user/core_concepts.rst @@ -104,7 +104,7 @@ Measurements Measurements capture numeric properties of a material. -- **Measurement** -- a generic numeric measurement with a ``MeasurementKind``, value, optional +- **Measurement** -- a generic numeric measurement with a ``kind`` string (e.g. ``AlloyMeasurementKind``), value, optional `Pint `_ unit, optional uncertainty, and optional ``MeasurementMethod`` (the instrument/technique used). - **CompMeasurement** -- chemical composition via pymatgen's ``Composition`` diff --git a/pyproject.toml b/pyproject.toml index 624fb46..b3037c8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -41,6 +41,7 @@ paper = [ "pydantic-ai>=1.39.0", "logfire>=0.4.0", "matplotlib", + "genai-prices", ] [build-system] diff --git a/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py b/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py index bdf817b..def9f96 100644 --- a/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py +++ b/scripts/paper/benchmarks/tasks/zero_shot_agentic_cli.py @@ -457,7 +457,7 @@ def _read_run_count(sandbox_dir: Path) -> int: try: return int(counter_file.read_text().strip()) except (FileNotFoundError, ValueError, OSError): - return 1 + return 0 def _extract_and_format_single_doi_agentic_cli( diff --git a/scripts/transcribe_pdfs.py b/scripts/transcribe_pdfs.py index 34328f7..f808f71 100644 --- a/scripts/transcribe_pdfs.py +++ b/scripts/transcribe_pdfs.py @@ -13,7 +13,7 @@ def main(): """Transcribe all PDFs in the dataset directory.""" - pdf_paths = glob.glob(resolve_path("datasets/litxalloy/pdfs/*")) + pdf_paths = glob.glob(resolve_path("datasets/litxalloy/pdfs/*.pdf")) for pdf_path in pdf_paths: # Create output directory diff --git a/src/litxbench/__init__.py b/src/litxbench/__init__.py index d2f5a19..657c4b0 100644 --- a/src/litxbench/__init__.py +++ b/src/litxbench/__init__.py @@ -18,11 +18,13 @@ from litxbench.core.extraction_utils import ( # noqa: F401 balance_composition, composition_with_weight_additions, + normalize, ) from litxbench.core.models import ( # noqa: F401 CompMeasurement, Configuration, Experiment, + GlobalLatticeParam, Material, Measurement, ProcessEvent, diff --git a/src/litxbench/core/enums.py b/src/litxbench/core/enums.py index 2e8eb46..610b484 100644 --- a/src/litxbench/core/enums.py +++ b/src/litxbench/core/enums.py @@ -132,7 +132,7 @@ class ProcessKind(str, Enum): CastingUnspecified = "Casting Unspecified" AsCast = "As Cast" - GravityCasting = "Gravity Casting" # aka die casting + GravityCasting = "Gravity Casting" DropCasting = "Drop Casting" SuctionCasting = "Suction Casting" DirectionalSolidification = "Directional Solidification" diff --git a/src/litxbench/core/eval.py b/src/litxbench/core/eval.py index d1ef28a..5dc1d49 100644 --- a/src/litxbench/core/eval.py +++ b/src/litxbench/core/eval.py @@ -542,9 +542,32 @@ def _compare_process_event_values(target_evt: ProcessEvent, extracted_evt: Proce # --------------------------------------------------------------------------- -def _units_equal(a: pint.Unit, b: pint.Unit) -> bool: - """Check if two pint units are equivalent.""" - return a == b +def _units_compatible(a: pint.Unit, b: pint.Unit) -> bool: + """Check if two pint units are dimensionally compatible.""" + try: + return a.is_compatible_with(b) + except Exception: + return a == b + + +def _values_match( + a_value: float | None, a_unit: pint.Unit, b_value: float | None, b_unit: pint.Unit, tol: float = 1e-6 +) -> bool: + """Check if two value+unit pairs represent the same physical quantity. + + Handles unit conversion (e.g. 1000 MPa == 1 GPa). Both values must be provided. + """ + if a_value is not None and b_value is not None: + if not _units_compatible(a_unit, b_unit): + return False + try: + converted = ureg.Quantity(b_value, b_unit).to(a_unit).magnitude + except Exception: + return False + return abs(a_value - converted) <= tol + elif a_value != b_value: # one is None, other isn't + return False + raise ValueError("_values_match should not be called when both values are None") _CONTEXT_PUNCT_RE = re.compile(r"[()[\],:/+]") @@ -738,15 +761,10 @@ def measurement_score(a: Measurement[Any], b: Measurement[Any]) -> float: if kind_score == 0.0: return 0.0 - # numeric value - if a.numeric_value is not None and b.numeric_value is not None: - if abs(a.numeric_value - b.numeric_value) > 1e-6: - return 0.0 - elif a.numeric_value != b.numeric_value: # one is None, other isn't - return 0.0 - - # unit - if not _units_equal(a.unit, b.unit): + # numeric value + unit (checked together to handle unit conversion) + if a.numeric_value is None and b.numeric_value is None: + pass # both missing numeric values — skip value/unit check + elif not _values_match(a.numeric_value, a.unit, b.numeric_value, b.unit): return 0.0 # Blend qualifier with condition matching @@ -810,12 +828,9 @@ def _quantity_score(a: Quantity, b: Quantity) -> float: """ if not isinstance(a, Quantity) or not isinstance(b, Quantity): return 0.0 - if a.numeric_value is not None and b.numeric_value is not None: - if abs(a.numeric_value - b.numeric_value) > 1e-6: - return 0.0 - elif a.numeric_value != b.numeric_value: - return 0.0 - if not _units_equal(a.unit, b.unit): + if a.numeric_value is None and b.numeric_value is None: + pass # both missing — skip value/unit check + elif not _values_match(a.numeric_value, a.unit, b.numeric_value, b.unit): return 0.0 return _qualifier_compatibility(a.value_qualifier, b.value_qualifier) @@ -888,7 +903,7 @@ def match_comparable_items( Builds a score matrix and uses ``linear_sum_assignment`` to find the optimal matching that maximises total score. Only pairs with - score >= MIN_ITEM_MATCH_SCORE are kept. + score > MIN_ITEM_MATCH_SCORE are kept. """ n_target = len(target_items) n_extracted = len(extracted_items) diff --git a/src/litxbench/core/models.py b/src/litxbench/core/models.py index a11de54..1a57680 100644 --- a/src/litxbench/core/models.py +++ b/src/litxbench/core/models.py @@ -550,7 +550,7 @@ class Machine: class Material(Generic[MeasurementClass]): _allowed_measurement_types: ClassVar[tuple[type, ...] | None] = None - process: InitVar[str | None] = None + process: str | None = None name: str | None = None measurements: Sequence[MeasurementClass] process_steps: list["ProcessStep"] | None = field(default=None, init=False) @@ -564,9 +564,9 @@ def __init_subclass__(cls, **kwargs: Any) -> None: cls._allowed_measurement_types = _resolve_type_to_classes(args[0]) break - def __post_init__(self, process: str | None) -> None: - if process is not None: - self.process_steps = ProcessStep.parse_process_string(process) + def __post_init__(self) -> None: + if self.process is not None: + self.process_steps = ProcessStep.parse_process_string(self.process) self._validate_compositions() self._validate_configuration_within() diff --git a/src/litxbench/core/validators.py b/src/litxbench/core/validators.py index a8d5766..6f6fef3 100644 --- a/src/litxbench/core/validators.py +++ b/src/litxbench/core/validators.py @@ -50,7 +50,7 @@ def validate_synthesis_groups( raise ValueError("Synthesis groups dict must not be empty") return - materials_with_process = [m for m in output_materials if m.process_steps is not None] + materials_with_process = [m for m in output_materials if m.process_steps] if materials_with_process: raise ValueError( f"When synthesis_groups is a list, materials should not have a process. This is because it is implied that all materials use the same synthesis groups - so manually specifying a process is likely an error. Found {len(materials_with_process)} material(s) with process set." diff --git a/tests/test_eval.py b/tests/test_eval.py index 2e20437..21a4ec1 100644 --- a/tests/test_eval.py +++ b/tests/test_eval.py @@ -38,6 +38,7 @@ _qualifier_compatibility, _quantity_score, _split_kind_to_words, + _values_match, align_process_events, compute_multi_level_metrics, match_comparable_items, @@ -56,7 +57,7 @@ Quantity, SynthesisGroup, ) -from litxbench.core.units import Celsius, MegaPascal, dimensionless, percent +from litxbench.core.units import Celsius, GigaPascal, Kelvin, MegaPascal, Micrometer, Millimeter, dimensionless, percent @dataclass @@ -530,6 +531,35 @@ def test_outside_tolerance(self): assert not _lattice_matched(la, lb) +class TestValuesMatch: + @pytest.mark.parametrize("a_val, a_unit, b_val, b_unit, expected", [ + # same unit + (100.0, MegaPascal, 100.0, MegaPascal, True), + (100.0, MegaPascal, 200.0, MegaPascal, False), + # unit conversion + (1000.0, MegaPascal, 1.0, GigaPascal, True), + (1.0, GigaPascal, 1000.0, MegaPascal, True), + (500.0, MegaPascal, 1.0, GigaPascal, False), + (1.0, Millimeter, 1000.0, Micrometer, True), + (0.0, Celsius, 273.15, Kelvin, True), + # incompatible units + (100.0, MegaPascal, 100.0, Millimeter, False), + # one None + (None, MegaPascal, 100.0, MegaPascal, False), + (100.0, MegaPascal, None, MegaPascal, False), + ]) + def test_values_match(self, a_val, a_unit, b_val, b_unit, expected): + assert _values_match(a_val, a_unit, b_val, b_unit) is expected + + def test_exactly_at_tolerance(self): + assert _values_match(1.0, MegaPascal, 1.0 + 1e-6, MegaPascal) is True + assert _values_match(1.0, MegaPascal, 1.0 + 2e-6, MegaPascal) is False + + def test_both_none_raises(self): + with pytest.raises(ValueError, match="should not be called"): + _values_match(None, MegaPascal, None, GigaPascal) + + class TestQuantityMatched: def test_identical(self): a = Quantity(value=0.5, unit=percent) diff --git a/uv.lock b/uv.lock index 2199b2e..7f4c718 100644 --- a/uv.lock +++ b/uv.lock @@ -1464,6 +1464,7 @@ docs = [ { name = "sphinx-design", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, ] paper = [ + { name = "genai-prices", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, { name = "logfire", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, { name = "matplotlib", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, { name = "pydantic-ai", marker = "sys_platform == 'darwin' or sys_platform == 'linux'" }, @@ -1472,6 +1473,7 @@ paper = [ [package.metadata] requires-dist = [ { name = "furo", marker = "extra == 'docs'" }, + { name = "genai-prices", marker = "extra == 'paper'" }, { name = "logfire", marker = "extra == 'paper'", specifier = ">=0.4.0" }, { name = "matplotlib", marker = "extra == 'paper'" }, { name = "pint", specifier = ">=0.25.2" }, From 6e54c0d476d5b5556176587a7f1f137e37380fd8 Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Fri, 10 Apr 2026 10:39:23 -0400 Subject: [PATCH 20/22] new values --- .../combined_results/agentic_cli_run1.csv | 8 ++-- .../combined_results/agentic_cli_run2.csv | 12 +++--- .../combined_results/agentic_cli_run3.csv | 10 ++--- .../json_vs_code_comparison.csv | 12 +++--- .../combined_results/zero_shot_json_run1.csv | 34 ++++++++-------- .../zero_shot_linear_run1.csv | 34 ++++++++-------- .../paper/combined_results/zero_shot_run1.csv | 40 +++++++++---------- .../paper/combined_results/zero_shot_run2.csv | 30 +++++++------- .../paper/combined_results/zero_shot_run3.csv | 28 ++++++------- .../zero_shot_summary_with_ci.csv | 18 ++++----- 10 files changed, 113 insertions(+), 113 deletions(-) diff --git a/scripts/paper/combined_results/agentic_cli_run1.csv b/scripts/paper/combined_results/agentic_cli_run1.csv index e353b46..0287e37 100644 --- a/scripts/paper/combined_results/agentic_cli_run1.csv +++ b/scripts/paper/combined_results/agentic_cli_run1.csv @@ -20,7 +20,7 @@ claude_code,doi_10_3390__met10111466,0.6020,0.4277,0.4791,39,8,3.00,7,3,3,2.0000 claude_code,doi_10_3390__met9030351,0.7753,0.6484,0.7046,14,8,6.00,4,3,3,1.6667,496950,19628,1.022009,,,,2.00,0,37,0.0000,0.7451,0.6552,0.6972,0.7500,0.4286,0.5455,0.5000,0.5000,0.5000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 claude_code,OVERALL,0.8031,0.7514,0.7752,674,616,459.68,101,100,95,1.0000,9231086,487777,24.057624,0.0,0.0,0.0,1.21,0,1816,0.0000,0.7537,0.7363,0.7449,0.7462,0.6820,0.7127,0.7029,0.5449,0.6139,0.8916,0.8022,0.8445,0.9500,0.9406,0.9453 codex,doi_10_1016__j_proeng_2012_03_043,0.8355,0.6881,0.7486,12,12,10.87,4,4,4,0.0000,183374,2181,0.094197,,,,1.00,0,27,0.0000,0.9709,0.6762,0.7972,0.9056,0.9056,0.9056,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -codex,doi_10_1038__ncomms10602,0.7250,0.7786,0.7500,19,22,15.00,1,1,1,0.0000,434409,4852,0.180403,,,,1.00,0,47,0.0000,0.7500,0.8571,0.8000,0.6818,0.7895,0.7317,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +codex,doi_10_1038__ncomms10602,0.7607,0.8194,0.7881,19,22,17.00,1,1,1,0.0000,434409,4852,0.180403,,,,1.00,0,47,0.0000,0.8214,0.9388,0.8762,0.7727,0.8947,0.8293,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_1038__s41467_019_08460_2,0.6898,0.5477,0.5996,18,16,8.00,5,6,5,0.8000,315416,4343,0.196274,,,,1.00,0,48,0.0000,0.6296,0.4250,0.5075,0.5000,0.4444,0.4706,0.3333,0.1333,0.1905,1.0000,0.8261,0.9048,0.8333,1.0000,0.9091 codex,doi_10_1038__s41467_019_10533_1,0.9039,0.8157,0.8540,18,16,16.00,7,7,7,2.0000,525036,4103,0.201909,,,,1.00,0,51,0.0000,0.9079,0.8313,0.8679,1.0000,0.8889,0.9412,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 codex,doi_10_1038__s41598_017_16509_9,0.7570,0.8661,0.8053,16,21,14.12,3,3,3,1.0000,749221,8041,0.369746,,,,1.00,0,48,0.0000,0.6948,0.8843,0.7782,0.6722,0.8823,0.7631,0.5714,0.6667,0.6154,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 @@ -38,9 +38,9 @@ codex,doi_10_3390__e21050448,0.5849,0.7982,0.6600,20,17,11.25,5,4,4,3.2500,20445 codex,doi_10_3390__ma12071136,0.9333,0.7387,0.8146,53,54,45.00,5,5,5,3.0000,472748,8440,0.371312,,,,2.00,0,112,0.0000,0.9000,0.7248,0.8030,0.8333,0.8491,0.8411,0.8889,0.8421,0.8649,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 codex,doi_10_3390__met10111466,0.7397,0.8943,0.8072,39,37,30.50,7,7,7,2.1429,390372,9076,0.341697,,,,1.00,0,108,0.0000,0.7050,0.9080,0.7937,0.8243,0.7821,0.8026,0.6923,0.7500,0.7200,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 codex,doi_10_3390__met9030351,0.7233,0.6273,0.6562,14,15,8.30,4,3,3,2.0000,278039,5575,0.189844,,,,2.00,0,41,0.0000,0.6717,0.6397,0.6553,0.5533,0.5929,0.5724,0.2500,0.5000,0.3333,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -codex,OVERALL,0.7464,0.7105,0.7277,674,656,444.25,101,90,89,1.2472,7005148,114127,4.351145,0.0,0.0,0.0,1.32,0,1797,0.0000,0.6809,0.6717,0.6763,0.6772,0.6591,0.6680,0.5893,0.5562,0.5723,0.8459,0.7951,0.8197,0.9889,0.8812,0.9319 +codex,OVERALL,0.7472,0.7113,0.7286,674,656,446.25,101,90,89,1.2472,7005148,114127,4.351145,0.0,0.0,0.0,1.32,0,1797,0.0000,0.6826,0.6734,0.6780,0.6803,0.6621,0.6711,0.5893,0.5562,0.5723,0.8459,0.7951,0.8197,0.9889,0.8812,0.9319 gemini_cli,doi_10_1016__j_proeng_2012_03_043,0.9465,0.8827,0.9122,12,16,10.87,4,4,4,0.0000,194706,1957,0.135179,,,,2.00,0,27,0.0000,0.8931,0.7655,0.8244,0.6792,0.9056,0.7762,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini_cli,doi_10_1038__ncomms10602,0.7618,0.7786,0.7700,19,19,15.00,1,1,1,0.0000,210958,2507,0.302489,,,,3.00,0,41,0.0000,0.8235,0.8571,0.8400,0.7895,0.7895,0.7895,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini_cli,doi_10_1038__ncomms10602,0.8010,0.8194,0.8100,19,19,17.00,1,1,1,0.0000,210958,2507,0.302489,,,,3.00,0,41,0.0000,0.9020,0.9388,0.9200,0.8947,0.8947,0.8947,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__s41467_019_08460_2,0.7328,0.6336,0.6621,18,18,11.80,5,6,5,2.4000,193758,3704,0.167864,,,,3.00,0,50,0.0000,0.7341,0.5567,0.6332,0.6556,0.6556,0.6556,0.6667,0.2667,0.3810,0.7037,0.8261,0.7600,0.8333,1.0000,0.9091 gemini_cli,doi_10_1038__s41467_019_10533_1,0.8407,0.8708,0.8552,18,25,18.00,7,7,7,2.0000,112222,2355,0.128014,,,,1.00,0,60,0.0000,0.8315,0.8916,0.8605,0.7200,1.0000,0.8372,0.8333,0.8333,0.8333,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__s41598_017_16509_9,0.8878,0.8616,0.8734,16,19,14.62,3,3,3,1.3333,195637,6920,0.210526,,,,4.00,0,37,0.0000,0.8301,0.8427,0.8363,0.7693,0.9135,0.8352,1.0000,0.8333,0.9091,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -58,4 +58,4 @@ gemini_cli,doi_10_3390__e21050448,0.5743,0.7993,0.6531,20,18,11.42,5,4,4,3.2500, gemini_cli,doi_10_3390__ma12071136,0.8737,0.7567,0.8081,53,52,40.00,5,5,5,3.0000,211693,8977,0.435900,,,,3.00,0,110,0.0000,0.8473,0.7450,0.7929,0.7692,0.7547,0.7619,1.0000,0.8947,0.9444,0.7500,0.5000,0.6000,1.0000,1.0000,1.0000 gemini_cli,doi_10_3390__met10111466,0.7933,0.8530,0.8154,39,33,31.00,7,6,6,2.3333,112460,5223,0.170240,,,,2.00,0,93,0.0000,0.7333,0.8534,0.7888,0.9394,0.7949,0.8611,1.0000,0.8333,0.9091,0.6333,0.8636,0.7308,1.0000,0.8571,0.9231 gemini_cli,doi_10_3390__met9030351,0.7312,0.6512,0.6722,14,15,8.30,4,3,3,2.0000,1482605,8324,1.349460,,,,4.00,0,44,0.0000,0.6873,0.6873,0.6873,0.5533,0.5929,0.5724,0.2500,0.5000,0.3333,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -gemini_cli,OVERALL,0.7861,0.7868,0.7856,674,682,496.67,101,97,96,1.3021,6666306,95675,7.446611,0.0,0.0,0.0,2.58,0,1828,0.0000,0.7389,0.7559,0.7473,0.7283,0.7369,0.7325,0.7338,0.6348,0.6807,0.7908,0.8553,0.8217,0.9897,0.9505,0.9697 +gemini_cli,OVERALL,0.7869,0.7877,0.7864,674,682,498.67,101,97,96,1.3021,6666306,95675,7.446611,0.0,0.0,0.0,2.58,0,1828,0.0000,0.7405,0.7576,0.7490,0.7312,0.7399,0.7355,0.7338,0.6348,0.6807,0.7908,0.8553,0.8217,0.9897,0.9505,0.9697 diff --git a/scripts/paper/combined_results/agentic_cli_run2.csv b/scripts/paper/combined_results/agentic_cli_run2.csv index d386a89..7113f49 100644 --- a/scripts/paper/combined_results/agentic_cli_run2.csv +++ b/scripts/paper/combined_results/agentic_cli_run2.csv @@ -1,6 +1,6 @@ model_name,doi,overall_precision,overall_recall,overall_f1,num_target_items,num_extracted_items,num_matched_items,num_target_materials,num_extracted_materials,num_matched_materials,avg_process_edit_distance,input_tokens,output_tokens,cost_usd,elapsed_seconds,avg_paper_time,max_paper_time,avg_attempts,num_hallucinated,num_total_numbers,hallucination_rate,value_precision,value_recall,value_f1,measurement_precision,measurement_recall,measurement_f1,config_precision,config_recall,config_f1,process_precision,process_recall,process_f1,material_precision,material_recall,material_f1 claude_code,doi_10_1016__j_proeng_2012_03_043,0.7748,0.7369,0.7550,12,16,10.33,4,4,4,0.0000,248137,7631,0.453868,,,,1.00,0,35,0.0000,0.8497,0.7738,0.8100,0.6458,0.8611,0.7381,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude_code,doi_10_1038__ncomms10602,0.7618,0.7786,0.7700,19,19,15.00,1,1,1,0.0000,506548,23301,1.352004,,,,1.00,0,41,0.0000,0.8235,0.8571,0.8400,0.7895,0.7895,0.7895,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude_code,doi_10_1038__ncomms10602,0.8010,0.8194,0.8100,19,19,17.00,1,1,1,0.0000,506548,23301,1.352004,,,,1.00,0,41,0.0000,0.9020,0.9388,0.9200,0.8947,0.8947,0.8947,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_1038__s41467_019_08460_2,0.9225,0.6052,0.7082,18,11,7.00,5,5,5,0.8000,250085,16491,0.886513,,,,1.00,0,39,0.0000,0.8451,0.5000,0.6283,0.6364,0.3889,0.4828,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude_code,doi_10_1038__s41467_019_10533_1,0.9211,1.0000,0.9575,18,18,18.00,7,7,7,1.0000,366452,18844,1.103499,,,,1.00,0,53,0.0000,0.9222,1.0000,0.9595,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000 claude_code,doi_10_1038__s41598_017_16509_9,0.7631,0.8097,0.7825,16,19,13.12,3,3,3,1.3333,226283,31835,1.309219,,,,1.00,0,46,0.0000,0.7008,0.8389,0.7637,0.6904,0.8198,0.7495,0.6000,0.5000,0.5455,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -10,7 +10,7 @@ claude_code,doi_10_3390__coatings9010016,0.4956,0.4211,0.4426,43,17,6.00,3,2,2,4 claude_code,doi_10_3390__e16020870,0.9577,0.9696,0.9636,47,47,44.40,6,6,6,0.0000,316093,17130,0.860492,,,,1.00,0,150,0.0000,0.9153,0.9393,0.9271,0.9447,0.9447,0.9447,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e18050189,0.9700,0.9569,0.9634,10,10,8.90,1,1,1,0.0000,261762,12104,0.714171,,,,1.00,0,29,0.0000,0.9400,0.9139,0.9268,0.8900,0.8900,0.8900,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21010015,0.9322,0.9625,0.9460,68,80,64.50,6,6,6,0.0000,295227,24335,1.132552,,,,1.00,0,226,0.0000,0.8644,0.9523,0.9063,0.8063,0.9485,0.8716,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude_code,doi_10_3390__e21020114,0.6818,0.6936,0.6871,98,101,46.70,7,7,7,0.0000,395537,31682,1.527340,,,,1.00,0,198,0.0000,0.4385,0.4302,0.4343,0.4624,0.4765,0.4693,0.7500,0.8571,0.8000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude_code,doi_10_3390__e21020114,0.6954,0.7070,0.7006,98,101,53.70,7,7,7,0.0000,395537,31682,1.527340,,,,1.00,0,198,0.0000,0.4658,0.4569,0.4613,0.5317,0.5480,0.5397,0.7500,0.8571,0.8000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21020122,0.6986,0.7318,0.7145,31,29,25.90,8,8,8,0.5000,304529,18148,0.869196,,,,1.00,0,82,0.0000,0.7971,0.8635,0.8290,0.8931,0.8355,0.8633,0.0000,0.0000,0.0000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21020169,0.7631,0.7125,0.7255,63,67,45.83,7,7,7,4.4286,433258,66652,2.490565,,,,1.00,0,246,0.0000,0.6891,0.7219,0.7051,0.6841,0.7275,0.7051,0.5714,0.6667,0.6154,0.9143,0.5079,0.6531,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21030288,0.7899,0.8846,0.8269,43,40,27.00,5,5,5,0.0000,91330,53,1.840219,,,,2.00,0,136,0.0000,0.7386,0.8025,0.7692,0.6750,0.6279,0.6506,0.4706,0.8889,0.6154,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -18,9 +18,9 @@ claude_code,doi_10_3390__e21050448,0.4551,0.8298,0.5875,20,24,10.03,5,10,5,2.400 claude_code,doi_10_3390__ma12071136,0.9444,0.7869,0.8475,53,50,46.00,5,5,5,3.0000,2402356,43593,2.992416,,,,3.00,0,108,0.0000,0.8889,0.8054,0.8451,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude_code,doi_10_3390__met10111466,0.6900,0.4014,0.4997,39,8,3.00,7,3,3,0.6667,549440,25873,1.398623,,,,2.00,0,32,0.0000,0.6800,0.3469,0.4595,0.3750,0.0769,0.1277,0.0000,0.0000,0.0000,1.0000,0.8182,0.9000,1.0000,0.4286,0.6000 claude_code,doi_10_3390__met9030351,0.9078,0.7665,0.8291,14,8,7.00,4,3,3,1.6667,428534,19763,1.191305,,,,2.00,0,37,0.0000,0.8600,0.7414,0.7963,0.8750,0.5000,0.6364,1.0000,1.0000,1.0000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -claude_code,OVERALL,0.7972,0.7586,0.7759,674,625,453.22,101,100,95,0.9684,9202964,460061,25.463224,0.0,0.0,0.0,1.26,0,1882,0.0000,0.7369,0.7425,0.7397,0.7251,0.6724,0.6978,0.7206,0.5506,0.6242,0.8909,0.8184,0.8531,0.9500,0.9406,0.9453 +claude_code,OVERALL,0.7995,0.7609,0.7782,674,625,462.22,101,100,95,0.9684,9202964,460061,25.463224,0.0,0.0,0.0,1.26,0,1882,0.0000,0.7415,0.7471,0.7443,0.7395,0.6858,0.7116,0.7206,0.5506,0.6242,0.8909,0.8184,0.8531,0.9500,0.9406,0.9453 codex,doi_10_1016__j_proeng_2012_03_043,0.8355,0.6881,0.7486,12,12,10.87,4,4,4,0.0000,183876,2259,0.086894,,,,1.00,0,27,0.0000,0.9709,0.6762,0.7972,0.9056,0.9056,0.9056,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -codex,doi_10_1038__ncomms10602,0.8256,0.7194,0.7679,19,18,17.00,1,1,1,1.0000,284333,3783,0.163473,,,,1.00,0,35,0.0000,0.9512,0.7959,0.8667,0.9444,0.8947,0.9189,0.0000,0.0000,0.0000,1.0000,0.8571,0.9231,1.0000,1.0000,1.0000 +codex,doi_10_1038__ncomms10602,0.8500,0.7398,0.7902,19,18,18.00,1,1,1,1.0000,284333,3783,0.163473,,,,1.00,0,35,0.0000,1.0000,0.8367,0.9111,1.0000,0.9474,0.9730,0.0000,0.0000,0.0000,1.0000,0.8571,0.9231,1.0000,1.0000,1.0000 codex,doi_10_1038__s41467_019_08460_2,0.7525,0.6817,0.7005,18,15,7.00,5,5,5,1.6000,246147,3892,0.161476,,,,1.00,0,47,0.0000,0.7368,0.5833,0.6512,0.4667,0.3889,0.4242,0.5714,0.2667,0.3636,0.7419,1.0000,0.8519,1.0000,1.0000,1.0000 codex,doi_10_1038__s41467_019_10533_1,0.9027,0.7536,0.8018,18,16,16.00,7,7,7,2.0000,376177,3299,0.175699,,,,1.00,0,51,0.0000,0.9054,0.8072,0.8535,1.0000,0.8889,0.9412,1.0000,0.3333,0.5000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 codex,doi_10_1038__s41598_017_16509_9,0.7264,0.7964,0.7579,16,21,13.62,3,3,3,1.3333,281171,5611,0.166597,,,,1.00,0,39,0.0000,0.6787,0.8124,0.7395,0.6484,0.8510,0.7360,0.4286,0.5000,0.4615,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -30,7 +30,7 @@ codex,doi_10_3390__coatings9010016,0.3426,0.2631,0.2964,43,22,3.00,3,2,2,3.0000, codex,doi_10_3390__e16020870,0.8502,0.8704,0.8601,47,47,32.00,6,6,6,0.0000,441717,6406,0.245591,,,,1.00,0,156,0.0000,0.7005,0.7408,0.7201,0.6809,0.6809,0.6809,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_3390__e18050189,0.8374,0.7905,0.8122,10,9,4.67,1,1,1,0.0000,337199,3058,0.153505,,,,2.00,0,25,0.0000,0.6747,0.5810,0.6244,0.5185,0.4667,0.4912,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_3390__e21010015,0.8514,0.8735,0.8613,68,80,52.50,6,6,6,0.0000,336997,7408,0.264049,,,,1.00,0,226,0.0000,0.7029,0.7744,0.7369,0.6562,0.7721,0.7095,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -codex,doi_10_3390__e21020114,0.7313,0.6975,0.7134,98,103,48.70,7,7,7,0.0000,411454,6096,0.209056,,,,2.00,0,200,0.0000,0.4625,0.4378,0.4498,0.4728,0.4969,0.4846,1.0000,0.8571,0.9231,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +codex,doi_10_3390__e21020114,0.7454,0.7108,0.7271,98,103,55.70,7,7,7,0.0000,411454,6096,0.209056,,,,2.00,0,200,0.0000,0.4907,0.4645,0.4773,0.5408,0.5684,0.5542,1.0000,0.8571,0.9231,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_3390__e21020122,0.7403,0.7266,0.7333,31,27,24.90,8,8,8,0.5000,320217,4981,0.198891,,,,2.00,0,76,0.0000,0.8806,0.8531,0.8667,0.9222,0.8032,0.8586,0.0000,0.0000,0.0000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 codex,doi_10_3390__e21020169,0.7414,0.7009,0.7080,63,66,42.00,7,7,7,4.2857,542888,13172,0.331892,,,,1.00,0,251,0.0000,0.6342,0.6923,0.6620,0.6364,0.6667,0.6512,0.5714,0.6667,0.6154,0.9429,0.5238,0.6735,1.0000,1.0000,1.0000 codex,doi_10_3390__e21030288,0.6104,0.6574,0.6295,43,39,15.00,5,5,5,0.0000,372394,5948,0.186408,,,,2.00,0,135,0.0000,0.4457,0.4815,0.4629,0.3846,0.3488,0.3659,0.2500,0.4444,0.3200,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ codex,doi_10_3390__e21050448,0.5651,0.8822,0.6778,20,20,13.50,5,5,5,3.4000,20964 codex,doi_10_3390__ma12071136,0.8729,0.7275,0.7825,53,52,38.00,5,5,5,3.0000,487604,8200,0.362501,,,,2.00,0,110,0.0000,0.7810,0.7181,0.7483,0.7308,0.7170,0.7238,0.8824,0.7895,0.8333,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 codex,doi_10_3390__met10111466,0.7261,0.7564,0.7377,39,31,21.00,7,6,6,1.8333,231726,6618,0.168153,,,,1.00,0,91,0.0000,0.7090,0.7787,0.7422,0.6774,0.5385,0.6000,0.5000,0.4167,0.4545,0.7333,0.8800,0.8000,1.0000,0.8571,0.9231 codex,doi_10_3390__met9030351,0.8259,0.6512,0.7237,14,11,8.30,4,3,3,2.0000,267134,3814,0.137236,,,,2.00,0,40,0.0000,0.8019,0.6873,0.7402,0.7545,0.5929,0.6640,0.5000,0.5000,0.5000,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -codex,OVERALL,0.7379,0.7123,0.7240,674,643,413.47,101,96,96,1.3854,6787385,113752,3.958964,0.0,0.0,0.0,1.47,0,1847,0.0000,0.6548,0.6641,0.6594,0.6430,0.6135,0.6279,0.6552,0.5337,0.5882,0.8113,0.7880,0.7995,1.0000,0.9505,0.9746 +codex,OVERALL,0.7398,0.7141,0.7259,674,643,421.47,101,96,96,1.3854,6787385,113752,3.958964,0.0,0.0,0.0,1.47,0,1847,0.0000,0.6585,0.6678,0.6631,0.6555,0.6253,0.6400,0.6552,0.5337,0.5882,0.8113,0.7880,0.7995,1.0000,0.9505,0.9746 gemini_cli,doi_10_1016__j_proeng_2012_03_043,0.9500,0.8857,0.9154,12,16,11.20,4,4,4,0.0000,137012,1378,0.180780,,,,1.00,0,27,0.0000,0.9000,0.7714,0.8308,0.7000,0.9333,0.8000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__ncomms10602,0.9196,0.9796,0.9476,19,22,18.00,1,1,1,0.0000,140085,2512,0.127022,,,,3.00,0,47,0.0000,0.8393,0.9592,0.8952,0.8182,0.9474,0.8780,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__s41467_019_08460_2,0.6276,0.5140,0.5441,18,18,11.80,5,6,5,3.2000,103838,1988,0.114237,,,,2.00,0,50,0.0000,0.6022,0.4567,0.5194,0.6556,0.6556,0.6556,0.8000,0.2667,0.4000,0.4074,0.4783,0.4400,0.8333,1.0000,0.9091 diff --git a/scripts/paper/combined_results/agentic_cli_run3.csv b/scripts/paper/combined_results/agentic_cli_run3.csv index d48095b..ecddedb 100644 --- a/scripts/paper/combined_results/agentic_cli_run3.csv +++ b/scripts/paper/combined_results/agentic_cli_run3.csv @@ -10,7 +10,7 @@ claude_code,doi_10_3390__coatings9010016,0.6910,0.5262,0.5908,43,17,11.00,3,2,2, claude_code,doi_10_3390__e16020870,0.9652,0.9482,0.9565,47,47,45.20,6,6,6,0.0000,301222,13375,0.723688,,,,1.00,0,138,0.0000,0.9304,0.8963,0.9131,0.9617,0.9617,0.9617,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e18050189,0.9700,0.9569,0.9634,10,10,8.90,1,1,1,0.0000,319304,12091,0.713233,,,,1.00,0,29,0.0000,0.9400,0.9139,0.9268,0.8900,0.8900,0.8900,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21010015,0.9322,0.9625,0.9460,68,80,64.50,6,6,6,0.0000,418552,21115,1.105723,,,,1.00,0,226,0.0000,0.8644,0.9523,0.9063,0.8063,0.9485,0.8716,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude_code,doi_10_3390__e21020114,0.7378,0.6722,0.7009,98,96,46.70,7,7,7,0.0000,646105,82525,3.139670,,,,1.00,0,193,0.0000,0.4755,0.4302,0.4517,0.4865,0.4765,0.4814,1.0000,0.7143,0.8333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude_code,doi_10_3390__e21020114,0.7525,0.6856,0.7149,98,96,53.70,7,7,7,0.0000,646105,82525,3.139670,,,,1.00,0,193,0.0000,0.5051,0.4569,0.4798,0.5594,0.5480,0.5536,1.0000,0.7143,0.8333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21020122,0.6579,0.7323,0.6922,31,29,26.00,8,8,8,1.0000,355693,19444,0.873596,,,,1.00,0,85,0.0000,0.7757,0.8646,0.8177,0.8966,0.8387,0.8667,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21020169,0.8077,0.8527,0.8291,63,63,45.83,7,7,7,0.4286,812739,97963,3.649026,,,,2.00,0,227,0.0000,0.7630,0.8245,0.7925,0.7275,0.7275,0.7275,0.5714,0.6667,0.6154,0.9524,0.9524,0.9524,1.0000,1.0000,1.0000 claude_code,doi_10_3390__e21030288,0.7674,0.8815,0.8130,43,40,26.00,5,5,5,0.0000,1419588,40008,2.306848,,,,2.00,0,148,0.0000,0.6935,0.7963,0.7414,0.6500,0.6047,0.6265,0.4706,0.8889,0.6154,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -18,9 +18,9 @@ claude_code,doi_10_3390__e21050448,0.4316,0.8329,0.5683,20,23,11.00,5,10,5,3.400 claude_code,doi_10_3390__ma12071136,0.9072,0.7421,0.8060,53,48,39.00,5,5,5,3.0000,502762,32038,2.012462,,,,2.00,0,106,0.0000,0.8321,0.7315,0.7786,0.8125,0.7358,0.7723,0.9412,0.8421,0.8889,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude_code,doi_10_3390__met10111466,0.6850,0.4823,0.5479,39,8,4.00,7,3,3,1.6667,263314,18317,0.866803,,,,1.00,0,43,0.0000,0.7500,0.4595,0.5698,0.5000,0.1026,0.1702,0.0000,0.0000,0.0000,0.8000,0.9412,0.8649,1.0000,0.4286,0.6000 claude_code,doi_10_3390__met9030351,0.9078,0.7665,0.8291,14,8,7.00,4,3,3,1.6667,468033,17348,1.028533,,,,2.00,0,37,0.0000,0.8600,0.7414,0.7963,0.8750,0.5000,0.6364,1.0000,1.0000,1.0000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -claude_code,OVERALL,0.8022,0.7617,0.7791,674,611,446.13,101,100,95,0.8947,8950814,609802,28.822750,0.0,0.0,0.0,1.32,0,1850,0.0000,0.7452,0.7402,0.7427,0.7302,0.6619,0.6944,0.7381,0.5225,0.6118,0.8819,0.8606,0.8711,0.9500,0.9406,0.9453 +claude_code,OVERALL,0.8037,0.7631,0.7806,674,611,453.13,101,100,95,0.8947,8950814,609802,28.822750,0.0,0.0,0.0,1.32,0,1850,0.0000,0.7482,0.7431,0.7456,0.7416,0.6723,0.7053,0.7381,0.5225,0.6118,0.8819,0.8606,0.8711,0.9500,0.9406,0.9453 codex,doi_10_1016__j_proeng_2012_03_043,0.8110,0.7369,0.7707,12,12,10.33,4,4,4,0.0000,183799,2314,0.087529,,,,1.00,0,35,0.0000,0.9220,0.7738,0.8414,0.8611,0.8611,0.8611,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -codex,doi_10_1038__ncomms10602,0.6628,0.6602,0.6603,19,22,15.00,1,1,1,2.0000,401285,5466,0.181634,,,,1.00,0,43,0.0000,0.6923,0.7347,0.7129,0.6818,0.7895,0.7317,0.0000,0.0000,0.0000,0.8333,0.7143,0.7692,1.0000,1.0000,1.0000 +codex,doi_10_1038__ncomms10602,0.7013,0.7010,0.6999,19,22,17.00,1,1,1,2.0000,401285,5466,0.181634,,,,1.00,0,43,0.0000,0.7692,0.8163,0.7921,0.7727,0.8947,0.8293,0.0000,0.0000,0.0000,0.8333,0.7143,0.7692,1.0000,1.0000,1.0000 codex,doi_10_1038__s41467_019_08460_2,0.5979,0.4530,0.5057,18,18,6.50,5,6,5,2.0000,433736,5375,0.236141,,,,1.00,0,50,0.0000,0.5724,0.3625,0.4439,0.3611,0.3611,0.3611,0.0000,0.0000,0.0000,0.9333,0.6087,0.7368,0.8333,1.0000,0.9091 codex,doi_10_1038__s41467_019_10533_1,0.9027,0.7536,0.8018,18,16,16.00,7,7,7,2.0000,408110,4387,0.190366,,,,1.00,0,51,0.0000,0.9054,0.8072,0.8535,1.0000,0.8889,0.9412,1.0000,0.3333,0.5000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 codex,doi_10_1038__s41598_017_16509_9,0.8370,0.8347,0.8288,16,19,12.12,3,3,3,1.3333,482556,8305,0.272077,,,,2.00,0,46,0.0000,0.7285,0.8389,0.7798,0.6377,0.7573,0.6924,1.0000,0.6667,0.8000,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -30,7 +30,7 @@ codex,doi_10_3390__coatings9010016,0.4033,0.4023,0.3938,43,27,6.00,3,2,2,3.5000, codex,doi_10_3390__e16020870,0.9948,0.9482,0.9703,47,47,45.20,6,6,6,0.0000,369854,4625,0.166666,,,,1.00,0,138,0.0000,0.9896,0.8963,0.9407,0.9617,0.9617,0.9617,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_3390__e18050189,0.8051,0.7627,0.7823,10,9,3.67,1,1,1,0.0000,277438,2500,0.117720,,,,1.00,0,25,0.0000,0.6102,0.5255,0.5647,0.4074,0.3667,0.3860,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_3390__e21010015,0.9239,0.9868,0.9532,68,85,65.50,6,6,6,0.0000,242468,7798,0.207302,,,,1.00,0,236,0.0000,0.8478,0.9735,0.9063,0.7706,0.9632,0.8562,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -codex,doi_10_3390__e21020114,0.7212,0.7619,0.7405,98,100,46.50,7,7,7,0.0000,480351,9124,0.322222,,,,3.00,0,230,0.0000,0.4799,0.5239,0.5009,0.4650,0.4745,0.4697,0.8750,1.0000,0.9333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +codex,doi_10_3390__e21020114,0.7334,0.7753,0.7532,98,100,53.50,7,7,7,0.0000,480351,9124,0.322222,,,,3.00,0,230,0.0000,0.5044,0.5506,0.5265,0.5350,0.5459,0.5404,0.8750,1.0000,0.9333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 codex,doi_10_3390__e21020122,0.6408,0.6901,0.6635,31,27,22.90,8,8,8,1.0000,370908,5383,0.171865,,,,1.00,0,80,0.0000,0.7416,0.7802,0.7604,0.8481,0.7387,0.7897,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 codex,doi_10_3390__e21020169,0.7060,0.6649,0.6721,63,70,39.00,7,7,7,4.2857,521036,11278,0.342937,,,,2.00,0,248,0.0000,0.6120,0.6703,0.6399,0.5571,0.6190,0.5865,0.4091,0.5000,0.4500,0.9429,0.5238,0.6735,1.0000,1.0000,1.0000 codex,doi_10_3390__e21030288,0.6104,0.6574,0.6295,43,39,15.00,5,5,5,0.0000,406364,6545,0.324169,,,,2.00,0,135,0.0000,0.4457,0.4815,0.4629,0.3846,0.3488,0.3659,0.2500,0.4444,0.3200,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ codex,doi_10_3390__e21050448,0.6275,0.8427,0.7037,20,16,12.25,5,4,4,3.2500,32471 codex,doi_10_3390__ma12071136,0.8796,0.7735,0.8201,53,50,46.00,5,5,5,3.0000,479542,8702,0.262684,,,,2.00,0,108,0.0000,0.8593,0.7785,0.8169,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,0.7500,0.5000,0.6000,1.0000,1.0000,1.0000 codex,doi_10_3390__met10111466,0.7950,0.9043,0.8409,39,34,33.00,7,7,7,2.1429,419033,6178,0.198872,,,,1.00,0,105,0.0000,0.7532,0.9280,0.8315,0.9706,0.8462,0.9041,0.9000,0.7500,0.8182,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 codex,doi_10_3390__met9030351,0.6898,0.6512,0.6424,14,15,8.30,4,3,3,2.0000,374481,5656,0.184561,,,,3.00,0,44,0.0000,0.6368,0.6873,0.6611,0.5533,0.5929,0.5724,0.1429,0.5000,0.2222,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -codex,OVERALL,0.7519,0.7126,0.7312,674,653,444.02,101,90,89,1.4270,7695228,122884,4.210711,0.0,0.0,0.0,1.68,0,1833,0.0000,0.6868,0.6880,0.6874,0.6800,0.6588,0.6692,0.6429,0.5562,0.5964,0.8187,0.7650,0.7910,0.9889,0.8812,0.9319 +codex,OVERALL,0.7543,0.7149,0.7335,674,653,453.02,101,90,89,1.4270,7695228,122884,4.210711,0.0,0.0,0.0,1.68,0,1833,0.0000,0.6915,0.6927,0.6921,0.6937,0.6721,0.6828,0.6429,0.5562,0.5964,0.8187,0.7650,0.7910,0.9889,0.8812,0.9319 gemini_cli,doi_10_1016__j_proeng_2012_03_043,0.9389,0.9702,0.9540,12,16,10.67,4,4,4,0.0000,209370,3957,0.309011,,,,4.00,0,35,0.0000,0.8778,0.9405,0.9080,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__ncomms10602,0.7552,0.9422,0.8189,19,23,16.33,1,1,1,0.0000,364402,5522,0.443826,,,,3.00,0,47,0.0000,0.7104,0.8844,0.7879,0.7101,0.8596,0.7778,0.3333,1.0000,0.5000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini_cli,doi_10_1038__s41467_019_08460_2,0.3994,0.3828,0.3864,18,20,5.00,5,6,5,3.2000,241851,5929,0.385169,,,,2.00,0,52,0.0000,0.3889,0.2917,0.3333,0.2500,0.2778,0.2632,0.0000,0.0000,0.0000,0.4000,0.4348,0.4167,0.8333,1.0000,0.9091 diff --git a/scripts/paper/combined_results/json_vs_code_comparison.csv b/scripts/paper/combined_results/json_vs_code_comparison.csv index 5764462..57783ed 100644 --- a/scripts/paper/combined_results/json_vs_code_comparison.csv +++ b/scripts/paper/combined_results/json_vs_code_comparison.csv @@ -1,7 +1,7 @@ model output_json_f1 output_json_attempts output_code_f1 output_code_attempts -Claude Haiku 4.5 0.6321 3.58 0.6488 +/- 0.0133 2.21 -GPT 5 Mini Medium 0.6502 3.50 0.6731 +/- 0.0422 2.49 -Gemini 3 Flash 0.7558 3.06 0.7371 +/- 0.0495 2.58 -Claude Opus 4.6 0.7163 2.16 0.7208 +/- 0.0398 1.53 -GPT 5.2 High 0.6891 1.95 0.7244 +/- 0.0215 1.46 -Gemini 3.1 Pro 0.7566 2.21 0.7701 +/- 0.0306 1.51 +Claude Haiku 4.5 0.6337 3.58 0.6510 +/- 0.0130 2.21 +GPT 5 Mini Medium 0.6511 3.50 0.6764 +/- 0.0434 2.49 +Gemini 3 Flash 0.7575 3.06 0.7376 +/- 0.0489 2.58 +Claude Opus 4.6 0.7164 2.16 0.7231 +/- 0.0401 1.53 +GPT 5.2 High 0.6936 1.95 0.7273 +/- 0.0198 1.46 +Gemini 3.1 Pro 0.7573 2.21 0.7708 +/- 0.0327 1.51 diff --git a/scripts/paper/combined_results/zero_shot_json_run1.csv b/scripts/paper/combined_results/zero_shot_json_run1.csv index ecbff01..e3c885d 100644 --- a/scripts/paper/combined_results/zero_shot_json_run1.csv +++ b/scripts/paper/combined_results/zero_shot_json_run1.csv @@ -1,6 +1,6 @@ model_name,doi,overall_precision,overall_recall,overall_f1,num_target_items,num_extracted_items,num_matched_items,num_target_materials,num_extracted_materials,num_matched_materials,avg_process_edit_distance,input_tokens,output_tokens,cost_usd,elapsed_seconds,avg_paper_time,max_paper_time,avg_attempts,num_hallucinated,num_total_numbers,hallucination_rate,value_precision,value_recall,value_f1,measurement_precision,measurement_recall,measurement_f1,config_precision,config_recall,config_f1,process_precision,process_recall,process_f1,material_precision,material_recall,material_f1 claude-haiku-4-5,doi_10_1016__j_proeng_2012_03_043,0.4867,0.7369,0.5778,12,28,10.33,4,4,4,2.0000,23328,4083,0.043743,,,,2.00,0,67,0.0000,0.4333,0.7738,0.5556,0.3690,0.8611,0.5167,0.0000,0.0000,0.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_1038__ncomms10602,0.4861,0.6003,0.5285,19,32,9.33,1,1,1,1.0000,91240,10616,0.144320,,,,4.00,0,60,0.0000,0.3293,0.5578,0.4141,0.2917,0.4912,0.3660,0.0000,0.0000,0.0000,0.8571,0.8571,0.8571,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_1038__ncomms10602,0.5059,0.6338,0.5534,19,32,10.62,1,1,1,1.0000,91240,10616,0.144320,,,,4.00,0,60,0.0000,0.3689,0.6248,0.4639,0.3318,0.5588,0.4163,0.0000,0.0000,0.0000,0.8571,0.8571,0.8571,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41467_019_08460_2,0.4539,0.4572,0.4553,18,31,4.78,5,5,5,3.2000,17562,3237,0.033747,,,,1.00,0,64,0.0000,0.2932,0.3127,0.3026,0.1540,0.2653,0.1949,0.6429,0.6000,0.6207,0.3043,0.3043,0.3043,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41467_019_10533_1,0.8396,0.7596,0.7935,18,21,15.00,7,7,7,1.0000,41563,3706,0.060093,,,,2.00,0,60,0.0000,0.8293,0.8193,0.8242,0.7143,0.8333,0.7692,0.5000,0.3333,0.4000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41598_017_16509_9,0.4377,0.6129,0.4963,16,34,5.83,3,5,3,3.3333,32045,6682,0.065455,,,,2.00,0,71,0.0000,0.3566,0.5997,0.4473,0.1716,0.3646,0.2333,0.1667,0.3333,0.2222,0.7222,0.5652,0.6341,0.6000,1.0000,0.7500 @@ -13,14 +13,14 @@ claude-haiku-4-5,doi_10_3390__e21010015,0.8774,0.8902,0.8837,68,72,51.67,6,6,6,0 claude-haiku-4-5,doi_10_3390__e21020114,0.6422,0.6698,0.6554,98,99,46.75,7,7,7,0.0000,20873,5783,0.049788,,,,1.00,0,229,0.0000,0.4844,0.5324,0.5073,0.4722,0.4770,0.4746,0.3333,0.3571,0.3448,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020122,0.5874,0.6935,0.6347,31,29,23.55,8,8,8,1.0000,27031,4767,0.050866,,,,2.00,0,91,0.0000,0.6349,0.7870,0.7028,0.8121,0.7597,0.7850,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020169,0.6873,0.6932,0.6891,63,67,31.22,7,7,7,1.4286,74882,19467,0.172217,,,,3.00,0,235,0.0000,0.6127,0.6665,0.6385,0.4659,0.4955,0.4803,0.2778,0.2778,0.2778,0.9464,0.8413,0.8908,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_3390__e21030288,0.4009,0.4843,0.4325,43,52,8.50,5,9,5,0.0000,251203,30328,0.402843,,,,7.00,0,140,0.0000,0.2351,0.2685,0.2507,0.1635,0.1977,0.1789,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.5556,1.0000,0.7143 +claude-haiku-4-5,doi_10_3390__e21030288,0.4050,0.4889,0.4368,43,52,10.00,5,9,5,0.0000,251203,30328,0.402843,,,,7.00,0,140,0.0000,0.2432,0.2778,0.2594,0.1923,0.2326,0.2105,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.5556,1.0000,0.7143 claude-haiku-4-5,doi_10_3390__e21050448,0.3351,0.6321,0.4342,20,43,8.78,5,11,5,1.8000,131610,20544,0.234330,,,,6.00,0,133,0.0000,0.2730,0.5891,0.3731,0.2041,0.4388,0.2786,0.0000,0.0000,0.0000,0.6522,0.9375,0.7692,0.4545,1.0000,0.6250 claude-haiku-4-5,doi_10_3390__ma12071136,0.7213,0.6335,0.6660,53,47,33.62,5,5,5,4.0000,82353,11153,0.138118,,,,3.00,0,104,0.0000,0.6593,0.6284,0.6435,0.7154,0.6344,0.6725,0.7222,0.6842,0.7027,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__met10111466,0.6478,0.6274,0.6245,39,35,16.00,7,4,4,2.2500,86045,14103,0.156560,,,,4.00,0,77,0.0000,0.6346,0.6055,0.6197,0.4571,0.4103,0.4324,0.2941,0.4167,0.3448,0.6818,0.8824,0.7692,1.0000,0.5714,0.7273 claude-haiku-4-5,doi_10_3390__met9030351,0.6299,0.6502,0.6347,14,22,6.55,4,3,3,0.0000,408691,31103,0.564206,,,,14.00,0,54,0.0000,0.5599,0.6754,0.6122,0.2977,0.4679,0.3639,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,0.7500,0.8571 -claude-haiku-4-5,OVERALL,0.5954,0.6827,0.6352,674,841,380.57,101,118,97,1.2474,1711355,247272,2.947715,0.0,0.0,0.0,3.58,0,2207,0.0000,0.5236,0.6355,0.5742,0.4525,0.5647,0.5024,0.3478,0.4045,0.3740,0.7907,0.8010,0.7958,0.8220,0.9604,0.8858 +claude-haiku-4-5,OVERALL,0.5963,0.6837,0.6361,674,841,383.36,101,118,97,1.2474,1711355,247272,2.947715,0.0,0.0,0.0,3.58,0,2207,0.0000,0.5253,0.6375,0.5760,0.4558,0.5688,0.5061,0.3478,0.4045,0.3740,0.7907,0.8010,0.7958,0.8220,0.9604,0.8858 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.8194,0.9226,0.8580,12,12,10.33,4,4,4,0.0000,22564,2736,0.181220,,,,2.00,0,35,0.0000,0.7889,0.8452,0.8161,0.8611,0.8611,0.8611,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.3756,0.5167,0.4183,19,26,3.33,1,3,1,0.0000,40398,4933,0.325315,,,,2.00,0,65,0.0000,0.2513,0.3333,0.2865,0.1282,0.1754,0.1481,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.3782,0.5201,0.4212,19,26,3.67,1,3,1,0.0000,40398,4933,0.325315,,,,2.00,0,65,0.0000,0.2564,0.3401,0.2924,0.1410,0.1930,0.1630,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8201,0.5927,0.6774,18,13,8.00,5,5,5,0.8000,17562,1458,0.124260,,,,1.00,0,41,0.0000,0.7403,0.4750,0.5787,0.6154,0.4444,0.5161,0.6667,0.2667,0.3810,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9490,0.8087,0.8700,18,19,18.00,7,7,7,1.0000,41630,3700,0.300650,,,,2.00,0,54,0.0000,0.9730,0.8675,0.9172,0.9474,1.0000,0.9730,0.7500,0.5000,0.6000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7467,0.6590,0.6891,16,21,12.12,3,3,3,4.0000,14340,2192,0.126500,,,,1.00,0,42,0.0000,0.6268,0.6268,0.6268,0.5770,0.7573,0.6550,0.6667,0.6667,0.6667,0.9167,0.4783,0.6286,1.0000,1.0000,1.0000 @@ -38,9 +38,9 @@ claude-opus-4-6,doi_10_3390__e21050448,0.3463,0.8609,0.4893,20,48,12.65,5,10,5,3 claude-opus-4-6,doi_10_3390__ma12071136,0.9252,0.7783,0.8341,53,50,47.80,5,5,5,3.0000,51478,7978,0.456840,,,,2.00,0,108,0.0000,0.8681,0.8040,0.8348,0.9560,0.9019,0.9282,0.9412,0.8421,0.8889,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.6333,0.4528,0.5085,39,8,3.00,7,3,3,1.6667,16103,1649,0.121740,,,,1.00,0,39,0.0000,0.6667,0.4078,0.5060,0.3750,0.0769,0.1277,0.0000,0.0000,0.0000,0.7500,0.9231,0.8276,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6243,0.5685,0.5911,14,15,7.30,4,3,3,1.0000,114953,12227,0.880440,,,,6.00,0,41,0.0000,0.5485,0.5921,0.5695,0.4867,0.5214,0.5034,0.0000,0.0000,0.0000,1.0000,0.8000,0.8889,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7395,0.7191,0.7286,674,634,414.29,101,99,92,1.1087,872781,123978,7.463355,0.0,0.0,0.0,2.16,0,1866,0.0000,0.6804,0.6868,0.6836,0.6535,0.6147,0.6335,0.5772,0.4831,0.5260,0.8665,0.8333,0.8496,0.9293,0.9109,0.9200 +claude-opus-4-6,OVERALL,0.7396,0.7192,0.7287,674,634,414.62,101,99,92,1.1087,872781,123978,7.463355,0.0,0.0,0.0,2.16,0,1866,0.0000,0.6806,0.6869,0.6837,0.6540,0.6152,0.6340,0.5772,0.4831,0.5260,0.8665,0.8333,0.8496,0.9293,0.9109,0.9200 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.9026,0.9673,0.9325,12,21,10.33,4,4,4,0.0000,9602,4514,0.018343,,,,1.00,0,39,0.0000,0.8051,0.9345,0.8650,0.4921,0.8611,0.6263,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini-3-flash,doi_10_1038__ncomms10602,0.6304,0.7677,0.6855,19,28,14.93,1,1,1,0.0000,60203,19083,0.087350,,,,3.00,0,66,0.0000,0.5607,0.8354,0.6710,0.5333,0.7860,0.6355,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini-3-flash,doi_10_1038__ncomms10602,0.6529,0.8012,0.7124,19,28,16.22,1,1,1,0.0000,60203,19083,0.087350,,,,3.00,0,66,0.0000,0.6057,0.9024,0.7249,0.5792,0.8535,0.6901,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.6097,0.4409,0.5075,18,23,5.82,5,4,4,1.5000,15742,8951,0.034724,,,,1.00,0,48,0.0000,0.3852,0.2751,0.3210,0.2529,0.3231,0.2837,0.7143,0.3333,0.4545,0.8000,0.6667,0.7273,1.0000,0.8000,0.8889 gemini-3-flash,doi_10_1038__s41467_019_10533_1,0.8527,0.8587,0.8506,18,22,16.00,7,7,7,1.0000,17818,10920,0.041669,,,,1.00,0,63,0.0000,0.7912,0.8675,0.8276,0.7273,0.8889,0.8000,0.7143,0.8333,0.7692,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41598_017_16509_9,0.8190,0.7040,0.7472,16,22,13.75,3,3,3,4.0000,12829,6310,0.025344,,,,1.00,0,37,0.0000,0.7213,0.6667,0.6929,0.6250,0.8594,0.7237,0.8333,0.8333,0.8333,0.9167,0.4783,0.6286,1.0000,1.0000,1.0000 @@ -55,7 +55,7 @@ gemini-3-flash,doi_10_3390__e21020169,0.7105,0.4806,0.5716,63,42,26.00,7,5,5,4.2 gemini-3-flash,doi_10_3390__e21050448,0.7122,0.8615,0.7741,20,29,13.25,5,5,5,0.4000,43821,14121,0.064273,,,,3.00,0,64,0.0000,0.6964,0.8980,0.7845,0.4569,0.6625,0.5408,0.2500,0.5000,0.3333,0.8824,0.9375,0.9091,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__ma12071136,0.7552,0.5274,0.6120,53,39,31.41,5,5,5,4.0000,1439836,152280,1.176758,,,,21.00,0,90,0.0000,0.6737,0.4793,0.5601,0.8054,0.5927,0.6829,0.9000,0.4737,0.6207,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__met10111466,0.7618,0.6399,0.6889,39,26,20.00,7,4,4,0.7500,32659,12221,0.052992,,,,2.00,0,58,0.0000,0.7059,0.6000,0.6486,0.7692,0.5128,0.6154,0.7000,0.5833,0.6364,0.7692,0.8333,0.8000,1.0000,0.5714,0.7273 -gemini-3-flash,OVERALL,0.8022,0.7162,0.7556,519,497,351.46,85,81,79,1.0886,1905502,326607,1.932572,0.0,0.0,0.0,3.06,0,1354,0.0000,0.7497,0.7029,0.7256,0.7072,0.6772,0.6919,0.6695,0.5163,0.5830,0.9032,0.7393,0.8131,0.9753,0.9294,0.9518 +gemini-3-flash,OVERALL,0.8032,0.7171,0.7565,519,497,352.75,85,81,79,1.0886,1905502,326607,1.932572,0.0,0.0,0.0,3.06,0,1354,0.0000,0.7516,0.7047,0.7274,0.7097,0.6797,0.6944,0.6695,0.5163,0.5830,0.9032,0.7393,0.8131,0.9753,0.9294,0.9518 gemini-3.1-pro,doi_10_1016__j_proeng_2012_03_043,0.9465,0.8827,0.9122,12,16,10.87,4,4,4,0.0000,9602,5689,0.087472,,,,1.00,0,27,0.0000,0.8931,0.7655,0.8244,0.6792,0.9056,0.7762,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__ncomms10602,0.7149,0.8043,0.7547,19,24,15.52,1,1,1,0.0000,58976,21542,0.376456,,,,3.00,0,51,0.0000,0.7298,0.9085,0.8094,0.6465,0.8167,0.7217,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41467_019_08460_2,0.8811,0.6327,0.7223,18,20,13.60,5,5,5,0.8000,15742,8568,0.134300,,,,1.00,0,48,0.0000,0.8222,0.5550,0.6627,0.6800,0.7556,0.7158,0.8000,0.2667,0.4000,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 @@ -67,7 +67,7 @@ gemini-3.1-pro,doi_10_3390__coatings9010016,0.4602,0.3674,0.3892,43,24,6.00,3,4, gemini-3.1-pro,doi_10_3390__e16020870,0.9542,0.9804,0.9669,47,47,44.00,6,6,6,0.0000,15173,11633,0.169942,,,,1.00,0,156,0.0000,0.9084,0.9607,0.9338,0.9362,0.9362,0.9362,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__e18050189,0.9858,0.9183,0.9495,10,9,8.12,1,1,1,0.0000,17968,4489,0.089804,,,,1.00,0,25,0.0000,0.9715,0.8366,0.8990,0.9019,0.8117,0.8544,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__e21010015,0.9162,0.9625,0.9370,68,80,64.50,6,6,6,0.0000,18431,17209,0.243370,,,,1.00,0,226,0.0000,0.8324,0.9523,0.8883,0.8063,0.9485,0.8716,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini-3.1-pro,doi_10_3390__e21020114,0.6683,0.6765,0.6718,98,99,43.70,7,7,7,0.0000,158570,53164,0.955108,,,,5.00,0,196,0.0000,0.4115,0.3958,0.4035,0.4414,0.4459,0.4437,0.7500,0.8571,0.8000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini-3.1-pro,doi_10_3390__e21020114,0.6821,0.6898,0.6854,98,99,50.70,7,7,7,0.0000,158570,53164,0.955108,,,,5.00,0,196,0.0000,0.4393,0.4225,0.4307,0.5121,0.5173,0.5147,0.7500,0.8571,0.8000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__e21020122,0.6568,0.7271,0.6893,31,27,25.00,8,8,8,1.0000,11043,7366,0.110478,,,,1.00,0,79,0.0000,0.7736,0.8542,0.8119,0.9259,0.8065,0.8621,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__e21020169,0.7912,0.8020,0.7966,63,58,41.00,7,7,7,0.4286,16451,19443,0.266218,,,,1.00,0,218,0.0000,0.7349,0.7564,0.7455,0.7069,0.6508,0.6777,0.5556,0.5556,0.5556,0.9524,0.9524,0.9524,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__e21030288,0.5438,0.5380,0.5394,43,33,11.50,5,5,5,0.0000,105666,41069,0.704160,,,,4.00,0,105,0.0000,0.3700,0.3426,0.3558,0.3485,0.2674,0.3026,0.0588,0.1111,0.0769,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -75,19 +75,19 @@ gemini-3.1-pro,doi_10_3390__e21050448,0.7695,0.8035,0.7798,20,16,11.50,5,4,4,0.0 gemini-3.1-pro,doi_10_3390__ma12071136,0.8622,0.7014,0.7663,53,54,46.80,5,5,5,4.0000,309796,61338,2.343268,,,,8.00,0,112,0.0000,0.8754,0.7168,0.7882,0.8667,0.8830,0.8748,0.9412,0.8421,0.8889,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__met10111466,0.6729,0.4552,0.5231,39,8,4.00,7,3,3,1.6667,14673,8730,0.134106,,,,1.00,0,37,0.0000,0.7258,0.4054,0.5202,0.5000,0.1026,0.1702,0.0000,0.0000,0.0000,0.8000,0.9412,0.8649,1.0000,0.4286,0.6000 gemini-3.1-pro,doi_10_3390__met9030351,0.6865,0.7203,0.6773,14,16,6.30,4,4,4,1.5000,92264,39346,0.656680,,,,5.00,0,50,0.0000,0.6355,0.7318,0.6803,0.3937,0.4500,0.4200,0.1250,0.5000,0.2000,1.0000,0.6471,0.7857,1.0000,1.0000,1.0000 -gemini-3.1-pro,OVERALL,0.7919,0.7355,0.7625,674,628,431.68,101,95,94,0.8404,991326,369730,7.407032,0.0,0.0,0.0,2.21,0,1740,0.0000,0.7134,0.6783,0.6954,0.6874,0.6405,0.6631,0.6829,0.6292,0.6550,0.9217,0.8117,0.8632,0.9895,0.9307,0.9592 +gemini-3.1-pro,OVERALL,0.7934,0.7370,0.7640,674,628,438.68,101,95,94,0.8404,991326,369730,7.407032,0.0,0.0,0.0,2.21,0,1740,0.0000,0.7164,0.6813,0.6984,0.6985,0.6509,0.6739,0.6829,0.6292,0.6550,0.9217,0.8117,0.8632,0.9895,0.9307,0.9592 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.7974,0.9256,0.8472,12,12,10.67,4,4,4,0.0000,9097,7065,0.082021,,,,1.00,0,35,0.0000,0.7448,0.8512,0.7944,0.8889,0.8889,0.8889,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__ncomms10602,0.6617,0.7634,0.7054,19,26,13.52,1,1,1,0.0000,34485,19024,0.233346,,,,2.00,0,55,0.0000,0.6233,0.8269,0.7108,0.5199,0.7114,0.6007,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.7747,0.7104,0.7123,18,17,9.90,5,5,5,2.6000,15071,15486,0.173699,,,,1.00,0,51,0.0000,0.7539,0.6408,0.6928,0.5824,0.5500,0.5657,0.8000,0.2667,0.4000,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__ncomms10602,0.6924,0.8043,0.7405,19,26,15.52,1,1,1,0.0000,34485,19024,0.233346,,,,2.00,0,55,0.0000,0.6849,0.9085,0.7810,0.5968,0.8167,0.6896,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.7825,0.7170,0.7195,18,17,10.73,5,5,5,2.6000,15071,15486,0.173699,,,,1.00,0,51,0.0000,0.7694,0.6540,0.7071,0.6314,0.5963,0.6133,0.8000,0.2667,0.4000,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_10533_1,0.8650,0.8889,0.8707,18,18,16.00,7,7,7,1.0000,16896,9744,0.118560,,,,1.00,0,53,0.0000,0.8851,0.9277,0.9059,0.8889,0.8889,0.8889,0.7500,0.5000,0.6000,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_017_16509_9,0.6348,0.7225,0.6712,16,21,6.67,3,3,3,1.3333,12134,16387,0.179037,,,,1.00,0,50,0.0000,0.5241,0.7146,0.6047,0.3175,0.4167,0.3604,0.3333,0.3333,0.3333,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_019_43329_w,0.6574,0.7921,0.7145,44,39,32.00,5,5,5,1.0000,20278,26302,0.288367,,,,1.00,0,138,0.0000,0.4948,0.6713,0.5697,0.8205,0.7273,0.7711,0.7333,0.7097,0.7213,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1155__2019__2157592,0.8158,0.9413,0.8693,18,17,17.00,12,12,12,1.6667,23395,15285,0.182094,,,,2.00,0,87,0.0000,0.8134,0.9397,0.8720,1.0000,0.9444,0.9714,1.0000,1.0000,1.0000,0.5455,0.8571,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__coatings9010016,0.2513,0.2640,0.2364,43,30,0.00,3,6,3,3.0000,32579,41832,0.459044,,,,2.00,0,89,0.0000,0.0526,0.0566,0.0545,0.0000,0.0000,0.0000,0.0000,0.0000,0.0000,0.7500,0.4286,0.5455,0.5000,1.0000,0.6667 gpt-5-2-high,doi_10_3390__e16020870,0.8275,0.8704,0.8477,47,54,32.00,6,6,6,0.0000,14246,15809,0.175898,,,,1.00,0,163,0.0000,0.6551,0.7408,0.6953,0.5926,0.6809,0.6337,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_3390__e18050189,0.8560,0.8461,0.8509,10,10,5.92,1,1,1,0.0000,16996,5601,0.077255,,,,1.00,0,29,0.0000,0.7119,0.6921,0.7019,0.5917,0.5917,0.5917,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_3390__e18050189,0.8874,0.8766,0.8819,10,10,7.12,1,1,1,0.0000,16996,5601,0.077255,,,,1.00,0,29,0.0000,0.7748,0.7532,0.7638,0.7117,0.7117,0.7117,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21010015,0.8514,0.8735,0.8613,68,80,52.50,6,6,6,0.0000,17331,13647,0.158134,,,,1.00,0,226,0.0000,0.7029,0.7744,0.7369,0.6562,0.7721,0.7095,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_3390__e21020114,0.5136,0.5520,0.5308,98,120,35.50,7,7,7,0.0000,72613,39190,0.482666,,,,3.00,0,256,0.0000,0.3085,0.3826,0.3416,0.2958,0.3622,0.3257,0.0625,0.0714,0.0667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_3390__e21020114,0.5244,0.5654,0.5427,98,120,42.50,7,7,7,0.0000,72613,39190,0.482666,,,,3.00,0,256,0.0000,0.3300,0.4094,0.3654,0.3542,0.4337,0.3899,0.0625,0.0714,0.0667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020122,0.5420,0.6516,0.5912,31,30,20.90,8,9,8,1.0000,10347,15540,0.168334,,,,1.00,0,87,0.0000,0.5730,0.7281,0.6413,0.6967,0.6742,0.6852,0.0000,0.0000,0.0000,0.6111,0.6875,0.6471,0.8889,1.0000,0.9412 gpt-5-2-high,doi_10_3390__e21020169,0.6136,0.7690,0.6748,63,85,45.00,7,10,7,1.2857,74153,60443,0.697121,,,,3.00,0,287,0.0000,0.5637,0.7784,0.6538,0.5294,0.7143,0.6081,0.2258,0.3889,0.2857,0.9643,0.8571,0.9076,0.7000,1.0000,0.8235 gpt-5-2-high,doi_10_3390__e21030288,0.4671,0.5025,0.4824,43,46,10.40,5,5,5,0.0000,101075,61092,0.737264,,,,4.00,0,150,0.0000,0.2341,0.3049,0.2649,0.2261,0.2419,0.2337,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -95,10 +95,10 @@ gpt-5-2-high,doi_10_3390__e21050448,0.6658,0.8423,0.7370,20,22,13.23,5,6,5,0.400 gpt-5-2-high,doi_10_3390__ma12071136,0.6909,0.6401,0.6462,53,67,34.72,5,5,5,3.0000,73160,39082,0.482270,,,,3.00,0,137,0.0000,0.5151,0.6223,0.5636,0.5182,0.6551,0.5787,0.5556,0.5263,0.5405,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met10111466,0.5786,0.8198,0.6683,39,45,15.00,7,7,7,2.1429,32259,37401,0.414334,,,,2.00,0,116,0.0000,0.5131,0.7840,0.6203,0.3333,0.3846,0.3571,0.2581,0.6667,0.3721,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met9030351,0.6477,0.5418,0.5757,14,18,8.30,4,4,4,2.2500,78494,58915,0.687268,,,,5.00,0,49,0.0000,0.5955,0.5955,0.5955,0.4611,0.5929,0.5188,0.0000,0.0000,0.0000,1.0000,0.4706,0.6400,1.0000,1.0000,1.0000 -gpt-5-2-high,OVERALL,0.6311,0.7225,0.6726,674,757,379.22,101,109,101,1.1485,679488,527577,6.125130,0.0,0.0,0.0,1.95,0,2128,0.0000,0.5368,0.6548,0.5900,0.5010,0.5626,0.5300,0.3938,0.5000,0.4406,0.8231,0.8503,0.8365,0.9266,1.0000,0.9619 +gpt-5-2-high,OVERALL,0.6336,0.7255,0.6754,674,757,390.25,101,109,101,1.1485,679488,527577,6.125130,0.0,0.0,0.0,1.95,0,2128,0.0000,0.5418,0.6609,0.5955,0.5155,0.5790,0.5454,0.3938,0.5000,0.4406,0.8231,0.8503,0.8365,0.9266,1.0000,0.9619 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.7885,0.9315,0.8418,12,16,10.33,4,4,4,0.0000,9097,5259,0.063961,,,,1.00,0,39,0.0000,0.7436,0.8631,0.7989,0.6458,0.8611,0.7381,0.4444,1.0000,0.6154,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__ncomms10602,0.5641,0.7808,0.6498,19,30,14.22,1,1,1,3.0000,58488,16565,0.238760,,,,3.00,0,57,0.0000,0.5483,0.8616,0.6701,0.4739,0.7482,0.5803,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4841,0.5376,0.5035,18,36,5.57,5,4,4,2.0000,33351,12132,0.163009,,,,2.00,0,59,0.0000,0.3625,0.4151,0.3870,0.1548,0.3095,0.2064,0.0667,0.0667,0.0667,0.7143,1.0000,0.8333,1.0000,0.8000,0.8889 +gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4871,0.5411,0.5068,18,36,6.39,5,4,4,2.0000,33351,12132,0.163009,,,,2.00,0,59,0.0000,0.3686,0.4221,0.3935,0.1775,0.3549,0.2366,0.0667,0.0667,0.0667,0.7143,1.0000,0.8333,1.0000,0.8000,0.8889 gpt-5-mini-medium,doi_10_1038__s41467_019_10533_1,0.7259,0.8518,0.7764,18,28,16.00,7,7,7,1.0000,36286,10748,0.152837,,,,2.00,0,74,0.0000,0.6818,0.9036,0.7772,0.5714,0.8889,0.6957,0.5000,0.3333,0.4000,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_017_16509_9,0.7203,0.8330,0.7696,16,21,9.75,3,3,3,1.6667,44281,12930,0.184651,,,,3.00,0,48,0.0000,0.6207,0.8182,0.7059,0.4643,0.6094,0.5270,0.6667,0.6667,0.6667,0.8000,0.8696,0.8333,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_019_43329_w,0.3954,0.4252,0.4085,44,45,26.82,5,5,5,1.0000,44381,12740,0.182876,,,,2.00,0,161,0.0000,0.2241,0.2837,0.2504,0.5959,0.6095,0.6026,0.0000,0.0000,0.0000,0.6667,0.6667,0.6667,1.0000,1.0000,1.0000 @@ -107,11 +107,11 @@ gpt-5-mini-medium,doi_10_3390__coatings9010016,0.2372,0.2825,0.2402,43,64,2.00,3 gpt-5-mini-medium,doi_10_3390__e16020870,0.8401,0.8490,0.8443,47,53,32.80,6,6,6,0.0000,53724,15912,0.226275,,,,3.00,0,153,0.0000,0.7053,0.6979,0.7016,0.6189,0.6979,0.6560,0.9167,1.0000,0.9565,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e18050189,0.6917,0.8333,0.7463,10,15,5.00,1,2,1,0.0000,35689,7115,0.115761,,,,2.00,0,34,0.0000,0.5333,0.6667,0.5926,0.3333,0.5000,0.4000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,0.5000,1.0000,0.6667 gpt-5-mini-medium,doi_10_3390__e21010015,0.9469,0.9332,0.9399,68,72,63.17,6,6,6,0.0000,17331,7882,0.100484,,,,1.00,0,193,0.0000,0.9210,0.8937,0.9072,0.8773,0.9289,0.9024,0.9091,0.9091,0.9091,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e21020114,0.6652,0.6970,0.6800,98,110,45.43,7,7,7,0.0000,41171,16758,0.219044,,,,2.00,0,239,0.0000,0.4162,0.4797,0.4457,0.4130,0.4636,0.4369,0.7143,0.7143,0.7143,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e21020114,0.6768,0.7104,0.6924,98,110,52.43,7,7,7,0.0000,41171,16758,0.219044,,,,2.00,0,239,0.0000,0.4393,0.5064,0.4705,0.4767,0.5350,0.5042,0.7143,0.7143,0.7143,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21020122,0.5042,0.7253,0.5901,31,30,24.65,8,9,8,2.5000,23228,11674,0.145775,,,,2.00,0,104,0.0000,0.5917,0.8505,0.6979,0.8217,0.7952,0.8082,0.0000,0.0000,0.0000,0.3750,0.7500,0.5000,0.8889,1.0000,0.9412 gpt-5-mini-medium,doi_10_3390__e21020169,0.7316,0.6589,0.6909,63,61,37.00,7,5,5,2.2000,95523,31126,0.430664,,,,4.00,0,191,0.0000,0.6853,0.6490,0.6667,0.6066,0.5873,0.5968,0.4667,0.3889,0.4242,0.8444,0.8444,0.8444,1.0000,0.7143,0.8333 gpt-5-mini-medium,doi_10_3390__e21050448,0.4554,0.6317,0.5156,20,25,8.30,5,4,4,2.7500,42213,14287,0.195636,,,,3.00,0,66,0.0000,0.3733,0.6099,0.4631,0.3320,0.4150,0.3689,0.1250,0.2500,0.1667,0.5000,0.8462,0.6286,1.0000,0.8000,0.8889 gpt-5-mini-medium,doi_10_3390__ma12071136,0.6873,0.7592,0.7185,53,63,35.00,5,5,5,1.0000,187286,36936,0.603468,,,,6.00,0,127,0.0000,0.5579,0.7114,0.6254,0.5556,0.6604,0.6034,0.6111,0.5789,0.5946,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__met10111466,0.5712,0.4892,0.5109,39,24,6.00,7,3,3,1.6667,30353,12109,0.159031,,,,2.00,0,59,0.0000,0.4796,0.4234,0.4498,0.2500,0.1538,0.1905,0.1429,0.1667,0.1538,0.8000,0.9412,0.8649,1.0000,0.4286,0.6000 gpt-5-mini-medium,doi_10_3390__met9030351,0.6414,0.6502,0.6414,14,20,6.55,4,3,3,0.0000,139441,25854,0.432841,,,,7.00,0,48,0.0000,0.5829,0.6754,0.6257,0.3275,0.4679,0.3853,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,0.7500,0.8571 -gpt-5-mini-medium,OVERALL,0.6202,0.6862,0.6499,631,740,363.59,96,90,85,1.3294,1462638,351263,5.340927,0.0,0.0,0.0,3.50,0,1897,0.0000,0.5350,0.6326,0.5797,0.4913,0.5762,0.5304,0.4107,0.4083,0.4095,0.7469,0.8791,0.8076,0.9444,0.8854,0.9140 +gpt-5-mini-medium,OVERALL,0.6217,0.6879,0.6515,631,740,371.41,96,90,85,1.3294,1462638,351263,5.340927,0.0,0.0,0.0,3.50,0,1897,0.0000,0.5380,0.6362,0.5830,0.5019,0.5886,0.5418,0.4107,0.4083,0.4095,0.7469,0.8791,0.8076,0.9444,0.8854,0.9140 diff --git a/scripts/paper/combined_results/zero_shot_linear_run1.csv b/scripts/paper/combined_results/zero_shot_linear_run1.csv index 6e99fa7..8e264aa 100644 --- a/scripts/paper/combined_results/zero_shot_linear_run1.csv +++ b/scripts/paper/combined_results/zero_shot_linear_run1.csv @@ -1,6 +1,6 @@ model_name,doi,overall_precision,overall_recall,overall_f1,num_target_items,num_extracted_items,num_matched_items,num_target_materials,num_extracted_materials,num_matched_materials,avg_process_edit_distance,input_tokens,output_tokens,cost_usd,elapsed_seconds,avg_paper_time,max_paper_time,avg_attempts,num_hallucinated,num_total_numbers,hallucination_rate,value_precision,value_recall,value_f1,measurement_precision,measurement_recall,measurement_f1,config_precision,config_recall,config_f1,process_precision,process_recall,process_f1,material_precision,material_recall,material_f1 claude-haiku-4-5,doi_10_1016__j_proeng_2012_03_043,0.7790,0.9185,0.8348,12,28,10.87,4,4,4,0.0000,25732,3292,0.042192,,,,2.00,0,55,0.0000,0.5579,0.8369,0.6695,0.3881,0.9056,0.5433,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_1038__ncomms10602,0.4708,0.7381,0.5559,19,31,6.33,1,3,1,0.0000,43465,5979,0.073360,,,,2.00,0,76,0.0000,0.2917,0.4762,0.3618,0.2043,0.3333,0.2533,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-haiku-4-5,doi_10_1038__ncomms10602,0.4125,0.6153,0.4766,19,31,7.00,1,3,1,0.0000,43465,5979,0.073360,,,,2.00,0,76,0.0000,0.3250,0.5306,0.4031,0.2258,0.3684,0.2800,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 claude-haiku-4-5,doi_10_1038__s41467_019_08460_2,0.6046,0.6515,0.6266,18,43,9.90,5,5,5,2.4000,18958,3764,0.037778,,,,1.00,0,63,0.0000,0.4878,0.5325,0.5092,0.2302,0.5500,0.3246,0.4667,0.4667,0.4667,0.7037,0.8261,0.7600,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41467_019_10533_1,0.7976,0.7657,0.7771,18,23,18.00,7,7,7,1.0000,44445,3861,0.063750,,,,2.00,0,70,0.0000,0.7753,0.8313,0.8023,0.7826,1.0000,0.8780,0.4000,0.3333,0.3636,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41598_017_16509_9,0.6847,0.8146,0.7376,16,34,12.37,3,3,3,1.0000,56297,8924,0.100917,,,,3.00,0,60,0.0000,0.5715,0.8313,0.6774,0.3637,0.7729,0.4947,0.5000,0.5000,0.5000,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 @@ -8,19 +8,19 @@ claude-haiku-4-5,doi_10_1038__s41598_019_43329_w,0.5761,0.6696,0.6137,44,59,33.2 claude-haiku-4-5,doi_10_1155__2019__2157592,0.4129,0.5389,0.4612,18,37,5.00,12,11,11,1.6364,77263,13994,0.147233,,,,4.00,0,112,0.0000,0.3059,0.4643,0.3688,0.1351,0.2778,0.1818,0.0000,0.0000,0.0000,0.5500,0.8462,0.6667,1.0000,0.9167,0.9565 claude-haiku-4-5,doi_10_3390__coatings9010016,0.3531,0.4574,0.3886,43,50,8.00,3,6,3,2.6667,689258,87766,1.128088,,,,18.00,0,117,0.0000,0.2276,0.3113,0.2629,0.1600,0.1860,0.1720,0.3333,0.2500,0.2857,0.5714,0.5714,0.5714,0.5000,1.0000,0.6667 claude-haiku-4-5,doi_10_3390__e16020870,0.4736,0.5599,0.5067,47,48,29.20,6,6,6,2.0000,95544,15011,0.170599,,,,4.00,0,139,0.0000,0.4071,0.4199,0.4134,0.6083,0.6213,0.6147,0.0000,0.0000,0.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_3390__e18050189,0.7953,0.7461,0.7684,10,11,4.72,1,1,1,0.0000,21397,852,0.025657,,,,1.00,0,24,0.0000,0.5906,0.4921,0.5369,0.4288,0.4717,0.4492,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_3390__e18050189,0.8103,0.7586,0.7821,10,11,5.62,1,1,1,0.0000,21397,852,0.025657,,,,1.00,0,24,0.0000,0.6206,0.5171,0.5641,0.5106,0.5617,0.5349,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21010015,0.7357,0.8462,0.7792,68,80,47.33,6,6,6,2.0000,21950,6029,0.052095,,,,1.00,0,223,0.0000,0.6314,0.7196,0.6726,0.5917,0.6961,0.6396,1.0000,0.9091,0.9524,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020114,0.7272,0.5516,0.6115,98,58,39.40,7,7,7,0.0000,48844,8518,0.091434,,,,2.00,0,94,0.0000,0.7045,0.3603,0.4768,0.6793,0.4020,0.5051,0.1667,0.1429,0.1538,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020122,0.6400,0.6893,0.6628,31,24,22.75,8,8,8,1.0000,29461,4172,0.050321,,,,2.00,0,76,0.0000,0.7401,0.7786,0.7589,0.9479,0.7339,0.8273,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020169,0.6455,0.7098,0.6724,63,80,31.33,7,7,7,3.4286,48458,17438,0.135648,,,,2.00,0,281,0.0000,0.4909,0.6276,0.5509,0.3917,0.4974,0.4382,0.5714,0.6667,0.6154,0.8214,0.7302,0.7731,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_3390__e21030288,0.5823,0.5833,0.5828,43,53,11.00,5,5,5,0.0000,124711,19114,0.220281,,,,4.00,0,128,0.0000,0.3313,0.3333,0.3323,0.2075,0.2558,0.2292,0.4444,0.4444,0.4444,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 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claude-haiku-4-5,doi_10_3390__met9030351,0.4174,0.5001,0.4375,14,28,5.50,4,3,3,2.0000,33020,5071,0.058375,,,,2.00,0,78,0.0000,0.2682,0.5086,0.3512,0.1964,0.3929,0.2619,0.0000,0.0000,0.0000,0.6667,0.6667,0.6667,1.0000,0.7500,0.8571 -claude-haiku-4-5,OVERALL,0.5666,0.6278,0.5953,674,809,335.95,101,105,95,1.5789,1833772,275603,3.211787,0.0,0.0,0.0,3.47,0,2024,0.0000,0.4634,0.5397,0.4986,0.4153,0.4984,0.4531,0.3367,0.3708,0.3529,0.7433,0.8064,0.7735,0.9048,0.9406,0.9223 +claude-haiku-4-5,OVERALL,0.5668,0.6282,0.5956,674,809,339.52,101,105,95,1.5789,1833772,275603,3.211787,0.0,0.0,0.0,3.47,0,2024,0.0000,0.4654,0.5420,0.5008,0.4197,0.5037,0.4579,0.3316,0.3652,0.3476,0.7433,0.8064,0.7735,0.9048,0.9406,0.9223 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9465,0.8827,0.9122,12,16,10.87,4,4,4,0.0000,25302,2508,0.189210,,,,2.00,0,27,0.0000,0.8931,0.7655,0.8244,0.6792,0.9056,0.7762,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.4527,0.6561,0.5189,19,30,10.00,1,3,1,0.0000,20224,3188,0.180820,,,,1.00,0,69,0.0000,0.4054,0.6122,0.4878,0.3333,0.5263,0.4082,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.4662,0.6765,0.5352,19,30,11.00,1,3,1,0.0000,20224,3188,0.180820,,,,1.00,0,69,0.0000,0.4324,0.6531,0.5203,0.3667,0.5789,0.4490,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8173,0.6094,0.6686,18,13,8.00,5,5,5,2.4000,18958,2003,0.144865,,,,1.00,0,41,0.0000,0.7531,0.5083,0.6070,0.6154,0.4444,0.5161,1.0000,0.2667,0.4211,0.7037,0.8261,0.7600,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,1.0000,0.8398,0.9094,18,18,18.00,7,7,7,1.0000,44285,3342,0.304975,,,,2.00,0,53,0.0000,1.0000,0.8795,0.9359,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7444,0.7737,0.7580,16,19,10.62,3,3,3,1.3333,15736,2009,0.128905,,,,1.00,0,37,0.0000,0.6934,0.7669,0.7283,0.5588,0.6635,0.6067,0.5000,0.5000,0.5000,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -30,7 +30,7 @@ claude-opus-4-6,doi_10_3390__coatings9010016,0.4544,0.3864,0.4049,43,17,4.00,3,2 claude-opus-4-6,doi_10_3390__e16020870,0.9160,0.9298,0.9219,47,47,43.20,6,6,6,0.0000,18040,3360,0.174200,,,,1.00,0,138,0.0000,0.8781,0.8597,0.8688,0.9191,0.9191,0.9191,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e18050189,0.8414,0.8319,0.8366,10,10,5.90,1,1,1,0.0000,21397,1132,0.135285,,,,1.00,0,29,0.0000,0.6829,0.6639,0.6732,0.5900,0.5900,0.5900,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21010015,0.9827,0.8828,0.9290,68,63,60.50,6,5,5,0.0000,21950,4954,0.233600,,,,1.00,0,181,0.0000,0.9655,0.8702,0.9153,0.9603,0.8897,0.9237,1.0000,0.8182,0.9000,1.0000,1.0000,1.0000,1.0000,0.8333,0.9091 -claude-opus-4-6,doi_10_3390__e21020114,0.7212,0.7063,0.7135,98,97,47.70,7,7,7,0.0000,81554,14324,0.765870,,,,3.00,0,194,0.0000,0.4424,0.4340,0.4382,0.4918,0.4867,0.4892,1.0000,0.9286,0.9630,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_3390__e21020114,0.7348,0.7196,0.7270,98,97,54.70,7,7,7,0.0000,81554,14324,0.765870,,,,3.00,0,194,0.0000,0.4696,0.4607,0.4651,0.5639,0.5582,0.5610,1.0000,0.9286,0.9630,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21020122,0.6112,0.5490,0.5666,31,15,10.90,8,5,5,1.0000,13665,1641,0.109350,,,,1.00,0,53,0.0000,0.6653,0.5506,0.6025,0.7267,0.3516,0.4739,0.0000,0.0000,0.0000,0.6429,0.9000,0.7500,1.0000,0.6250,0.7692 claude-opus-4-6,doi_10_3390__e21020169,0.7654,0.6987,0.7186,63,62,44.00,7,7,7,4.4286,46587,13034,0.558785,,,,2.00,0,225,0.0000,0.7151,0.6941,0.7045,0.7097,0.6984,0.7040,0.5000,0.6667,0.5714,0.9143,0.5079,0.6531,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21030288,0.7182,0.6574,0.6850,43,36,15.00,5,5,5,0.0000,51525,7184,0.437225,,,,2.00,0,111,0.0000,0.5865,0.4815,0.5288,0.4167,0.3488,0.3797,0.5000,0.4444,0.4706,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ claude-opus-4-6,doi_10_3390__e21050448,0.3856,0.8625,0.5208,20,50,13.40,5,10,5,1 claude-opus-4-6,doi_10_3390__ma12071136,0.9436,0.7802,0.8434,53,50,46.00,5,5,5,3.0000,88104,12255,0.746895,,,,3.00,0,108,0.0000,0.8872,0.7919,0.8369,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.7250,0.7363,0.7046,39,18,16.00,7,7,7,2.1429,17499,2678,0.154445,,,,1.00,0,94,0.0000,0.7333,0.7920,0.7615,0.8889,0.4103,0.5614,0.5000,0.0833,0.1429,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met9030351,0.7258,0.6512,0.6695,14,16,8.30,4,3,3,2.0000,32672,3901,0.260885,,,,2.00,0,42,0.0000,0.6766,0.6873,0.6819,0.5188,0.5929,0.5533,0.2500,0.5000,0.3333,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7422,0.7128,0.7263,674,637,416.63,101,101,94,1.3298,638169,97693,5.633170,0.0,0.0,0.0,1.58,0,1815,0.0000,0.6771,0.6709,0.6740,0.6541,0.6182,0.6356,0.6479,0.5169,0.5750,0.8343,0.8011,0.8173,0.9307,0.9307,0.9307 +claude-opus-4-6,OVERALL,0.7441,0.7147,0.7282,674,637,424.63,101,101,94,1.3298,638169,97693,5.633170,0.0,0.0,0.0,1.58,0,1815,0.0000,0.6809,0.6746,0.6778,0.6666,0.6300,0.6478,0.6479,0.5169,0.5750,0.8343,0.8011,0.8173,0.9307,0.9307,0.9307 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.9389,0.9702,0.9540,12,16,10.67,4,4,4,0.0000,10560,7705,0.028395,,,,1.00,0,35,0.0000,0.8778,0.9405,0.9080,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__ncomms10602,0.7000,0.7786,0.7353,19,23,15.00,1,1,1,0.0000,17756,14135,0.051283,,,,1.00,0,46,0.0000,0.7000,0.8571,0.7706,0.6522,0.7895,0.7143,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.7359,0.6217,0.6183,18,24,7.40,5,5,5,2.6000,16700,8081,0.032593,,,,1.00,0,54,0.0000,0.6163,0.5033,0.5541,0.3083,0.4111,0.3524,1.0000,0.1333,0.2353,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 @@ -50,7 +50,7 @@ gemini-3-flash,doi_10_3390__coatings9010016,0.5157,0.5995,0.5512,43,27,10.00,3,4 gemini-3-flash,doi_10_3390__e16020870,0.9577,0.9696,0.9636,47,47,44.40,6,6,6,0.0000,35664,20307,0.078753,,,,2.00,0,150,0.0000,0.9153,0.9393,0.9271,0.9447,0.9447,0.9447,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e18050189,0.8418,0.9569,0.8887,10,10,8.90,1,1,1,2.0000,60355,16631,0.080071,,,,3.00,0,29,0.0000,0.8436,0.9139,0.8773,0.8900,0.8900,0.8900,1.0000,1.0000,1.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21010015,0.9568,0.9161,0.9357,68,61,53.33,6,6,6,0.0000,19389,5966,0.027592,,,,1.00,0,188,0.0000,0.9137,0.8595,0.8857,0.8743,0.7843,0.8269,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini-3-flash,doi_10_3390__e21020114,0.7898,0.7554,0.7707,98,97,55.43,7,7,7,0.0000,70577,26888,0.115953,,,,3.00,0,213,0.0000,0.5796,0.5751,0.5773,0.5715,0.5656,0.5685,1.0000,0.7857,0.8800,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini-3-flash,doi_10_3390__e21020114,0.8032,0.7688,0.7841,98,97,62.43,7,7,7,0.0000,70577,26888,0.115953,,,,3.00,0,213,0.0000,0.6065,0.6018,0.6042,0.6436,0.6371,0.6403,1.0000,0.7857,0.8800,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21020122,0.7188,0.8227,0.7662,31,29,25.75,8,8,8,0.5000,64276,24601,0.105941,,,,4.00,0,85,0.0000,0.8176,0.9453,0.8768,0.8879,0.8306,0.8583,0.0000,0.0000,0.0000,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21020169,0.7985,0.7319,0.7622,63,58,41.00,7,7,7,2.4286,39689,21972,0.085761,,,,2.00,0,218,0.0000,0.7549,0.7051,0.7292,0.7069,0.6508,0.6777,0.5556,0.5556,0.5556,0.9388,0.7302,0.8214,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21030288,0.4340,0.4418,0.4378,43,56,5.75,5,5,5,0.0000,73777,21700,0.101988,,,,3.00,0,132,0.0000,0.1681,0.1836,0.1755,0.1027,0.1337,0.1162,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -58,7 +58,7 @@ gemini-3-flash,doi_10_3390__e21050448,0.3057,0.6336,0.4123,20,45,9.00,5,10,5,3.6 gemini-3-flash,doi_10_3390__ma12071136,0.8911,0.9331,0.9097,53,50,45.77,5,5,5,0.0000,47814,15164,0.069399,,,,2.00,0,120,0.0000,0.7823,0.8978,0.8360,0.9153,0.8635,0.8887,1.0000,0.8947,0.9444,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__met10111466,0.6868,0.6338,0.6564,39,25,13.00,7,5,5,1.4000,33794,17368,0.069001,,,,2.00,0,74,0.0000,0.6903,0.6555,0.6724,0.5200,0.3333,0.4063,0.1667,0.1667,0.1667,0.8333,0.8696,0.8511,1.0000,0.7143,0.8333 gemini-3-flash,doi_10_3390__met9030351,0.7245,0.7374,0.7157,14,20,8.55,4,4,4,1.5000,28662,13195,0.053916,,,,2.00,0,53,0.0000,0.6740,0.7659,0.7170,0.4275,0.6107,0.5029,0.2500,0.5000,0.3333,1.0000,0.6471,0.7857,1.0000,1.0000,1.0000 -gemini-3-flash,OVERALL,0.7272,0.7718,0.7482,674,700,437.82,101,105,99,1.1818,850237,350630,1.477009,0.0,0.0,0.0,2.26,0,1950,0.0000,0.6607,0.7201,0.6891,0.6255,0.6496,0.6373,0.6319,0.5787,0.6041,0.8032,0.8897,0.8443,0.9429,0.9802,0.9612 +gemini-3-flash,OVERALL,0.7286,0.7733,0.7496,674,700,444.82,101,105,99,1.1818,850237,350630,1.477009,0.0,0.0,0.0,2.26,0,1950,0.0000,0.6634,0.7230,0.6919,0.6355,0.6600,0.6475,0.6319,0.5787,0.6041,0.8032,0.8897,0.8443,0.9429,0.9802,0.9612 gemini-3.1-pro,doi_10_1016__j_proeng_2012_03_043,0.9673,0.9673,0.9673,12,12,10.33,4,4,4,0.0000,10560,4799,0.078708,,,,1.00,0,35,0.0000,0.9345,0.9345,0.9345,0.8611,0.8611,0.8611,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__ncomms10602,0.9704,0.9991,0.9843,19,20,18.92,1,1,1,0.0000,37295,12588,0.225646,,,,2.00,0,43,0.0000,0.9407,0.9983,0.9686,0.9458,0.9956,0.9701,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41467_019_08460_2,0.6292,0.5015,0.5454,18,15,10.80,5,5,5,3.2000,16700,8502,0.135424,,,,1.00,0,43,0.0000,0.5954,0.4317,0.5005,0.7200,0.6000,0.6545,0.6667,0.2667,0.3810,0.4074,0.4783,0.4400,1.0000,1.0000,1.0000 @@ -80,8 +80,8 @@ gemini-3.1-pro,doi_10_3390__met10111466,0.6760,0.6652,0.6682,39,20,14.00,7,6,6,1 gemini-3.1-pro,doi_10_3390__met9030351,0.8812,0.7658,0.8045,14,11,9.30,4,3,3,2.0000,45156,16441,0.287604,,,,3.00,0,40,0.0000,0.8625,0.7667,0.8118,0.8455,0.6643,0.7440,0.6667,1.0000,0.8000,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 gemini-3.1-pro,OVERALL,0.7927,0.7763,0.7823,674,636,470.12,101,96,96,1.2812,581700,279965,4.522980,0.0,0.0,0.0,1.68,0,1819,0.0000,0.7479,0.7544,0.7511,0.7392,0.6975,0.7177,0.7574,0.5787,0.6561,0.7757,0.8486,0.8105,1.0000,0.9505,0.9746 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.9303,0.9226,0.9264,12,12,10.33,4,4,4,0.0000,9870,7713,0.089468,,,,1.00,0,35,0.0000,0.8606,0.8452,0.8529,0.8611,0.8611,0.8611,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__ncomms10602,0.6726,0.7582,0.7104,19,26,15.00,1,1,1,0.0000,16664,17028,0.191110,,,,1.00,0,55,0.0000,0.6452,0.8163,0.7207,0.5769,0.7895,0.6667,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.7839,0.6854,0.7071,18,17,7.90,5,5,5,1.6000,15844,12326,0.143065,,,,1.00,0,51,0.0000,0.7309,0.5908,0.6535,0.4647,0.4389,0.4514,0.8000,0.2667,0.4000,0.7419,1.0000,0.8519,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__ncomms10602,0.7048,0.7990,0.7464,19,26,17.00,1,1,1,0.0000,16664,17028,0.191110,,,,1.00,0,55,0.0000,0.7097,0.8980,0.7928,0.6538,0.8947,0.7556,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.7920,0.6920,0.7144,18,17,8.73,5,5,5,1.6000,15844,12326,0.143065,,,,1.00,0,51,0.0000,0.7473,0.6040,0.6680,0.5137,0.4852,0.4990,0.8000,0.2667,0.4000,0.7419,1.0000,0.8519,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_10533_1,0.7282,0.8277,0.7695,18,22,16.00,7,7,7,2.0000,17669,18662,0.208706,,,,1.00,0,57,0.0000,0.7474,0.8554,0.7978,0.7273,0.8889,0.8000,0.3636,0.6667,0.4706,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_017_16509_9,0.6785,0.7544,0.7113,16,21,10.12,3,3,3,1.3333,12907,12908,0.145214,,,,1.00,0,48,0.0000,0.6115,0.7783,0.6849,0.4817,0.6323,0.5468,0.3333,0.3333,0.3333,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_019_43329_w,0.7568,0.7191,0.7011,44,39,30.25,5,5,5,1.0000,21051,15459,0.180904,,,,1.00,0,138,0.0000,0.6136,0.6608,0.6364,0.7756,0.6875,0.7289,1.0000,0.2581,0.4103,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 @@ -90,7 +90,7 @@ gpt-5-2-high,doi_10_3390__coatings9010016,0.2269,0.2830,0.2402,43,32,0.00,3,6,3, gpt-5-2-high,doi_10_3390__e16020870,0.9441,0.9696,0.9565,47,47,44.40,6,6,6,0.0000,15019,12926,0.148034,,,,1.00,0,156,0.0000,0.8881,0.9393,0.9130,0.9447,0.9447,0.9447,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e18050189,0.9375,0.8889,0.9118,10,9,6.75,1,1,1,0.0000,17769,8139,0.103601,,,,1.00,0,26,0.0000,0.8750,0.7778,0.8235,0.7500,0.6750,0.7105,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21010015,0.9401,0.9868,0.9623,68,80,65.50,6,6,6,0.0000,18104,12554,0.148170,,,,1.00,0,226,0.0000,0.8803,0.9735,0.9245,0.8187,0.9632,0.8851,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_3390__e21020114,0.5175,0.5520,0.5331,98,118,35.50,7,7,7,0.0000,41194,31684,0.368333,,,,2.00,0,248,0.0000,0.3162,0.3826,0.3463,0.3008,0.3622,0.3287,0.0625,0.0714,0.0667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_3390__e21020114,0.5285,0.5654,0.5452,98,118,42.50,7,7,7,0.0000,41194,31684,0.368333,,,,2.00,0,248,0.0000,0.3383,0.4094,0.3705,0.3602,0.4337,0.3935,0.0625,0.0714,0.0667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020122,0.6377,0.7214,0.6761,31,29,23.90,8,8,8,1.0000,11120,14010,0.154000,,,,1.00,0,82,0.0000,0.7355,0.8427,0.7854,0.8241,0.7710,0.7967,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020169,0.6753,0.6715,0.6645,63,73,38.83,7,7,7,3.2857,16246,23535,0.255657,,,,1.00,0,253,0.0000,0.5915,0.6889,0.6365,0.5320,0.6164,0.5711,0.2609,0.3333,0.2927,0.9524,0.6349,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21030288,0.5759,0.6556,0.6077,43,40,14.40,5,5,5,0.0000,41854,25503,0.307347,,,,2.00,0,148,0.0000,0.3851,0.4778,0.4264,0.3600,0.3349,0.3470,0.2222,0.4444,0.2963,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -98,10 +98,10 @@ gpt-5-2-high,doi_10_3390__e21050448,0.5451,0.7999,0.6320,20,20,11.50,5,4,4,3.250 gpt-5-2-high,doi_10_3390__ma12071136,0.8771,0.7622,0.8026,53,55,45.00,5,5,5,3.0000,44273,31269,0.368031,,,,2.00,0,113,0.0000,0.7718,0.7718,0.7718,0.8182,0.8491,0.8333,0.9412,0.8421,0.8889,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met10111466,0.6089,0.7578,0.6728,39,45,13.00,7,7,7,2.0000,14503,13446,0.152589,,,,1.00,0,116,0.0000,0.5655,0.7600,0.6485,0.2889,0.3333,0.3095,0.2857,0.3333,0.3077,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met9030351,0.7347,0.7788,0.7465,14,17,8.30,4,3,3,0.0000,26641,24148,0.274781,,,,2.00,0,46,0.0000,0.6944,0.7825,0.7358,0.4882,0.5929,0.5355,0.2500,0.5000,0.3333,1.0000,1.0000,1.0000,1.0000,0.7500,0.8571 -gpt-5-2-high,OVERALL,0.6819,0.7374,0.7079,674,719,413.43,101,102,99,1.2929,392129,339848,3.888641,0.0,0.0,0.0,1.26,0,2058,0.0000,0.6130,0.7055,0.6560,0.5750,0.6134,0.5936,0.4560,0.4663,0.4611,0.8069,0.8380,0.8222,0.9706,0.9802,0.9754 +gpt-5-2-high,OVERALL,0.6841,0.7400,0.7103,674,719,423.27,101,102,99,1.2929,392129,339848,3.888641,0.0,0.0,0.0,1.26,0,2058,0.0000,0.6175,0.7108,0.6609,0.5887,0.6280,0.6077,0.4560,0.4663,0.4611,0.8069,0.8380,0.8222,0.9706,0.9802,0.9754 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.9192,0.8893,0.9037,12,12,7.60,4,4,4,0.0000,9870,3343,0.045768,,,,1.00,0,27,0.0000,0.8385,0.7786,0.8074,0.6333,0.6333,0.6333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__ncomms10602,0.5481,0.7820,0.6379,19,32,16.33,1,1,1,3.0000,36081,11343,0.158531,,,,2.00,0,61,0.0000,0.5163,0.8639,0.6463,0.5104,0.8596,0.6405,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.6020,0.5975,0.5976,18,31,10.55,5,5,5,2.4000,15844,6280,0.082605,,,,1.00,0,59,0.0000,0.5406,0.5046,0.5220,0.3403,0.5861,0.4306,0.2727,0.2000,0.2308,0.7037,0.8261,0.7600,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_1038__ncomms10602,0.5725,0.8228,0.6684,19,32,18.33,1,1,1,3.0000,36081,11343,0.158531,,,,2.00,0,61,0.0000,0.5650,0.9456,0.7074,0.5729,0.9649,0.7190,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.6100,0.6050,0.6054,18,31,12.35,5,5,5,2.4000,15844,6280,0.082605,,,,1.00,0,59,0.0000,0.5567,0.5196,0.5375,0.3984,0.6861,0.5041,0.2727,0.2000,0.2308,0.7037,0.8261,0.7600,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41467_019_10533_1,0.8614,0.8114,0.8314,18,16,15.30,7,7,7,2.0000,17669,4491,0.066996,,,,1.00,0,58,0.0000,0.8229,0.8229,0.8229,0.9562,0.8500,0.9000,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_017_16509_9,0.6234,0.7668,0.6811,16,23,9.62,3,3,3,1.0000,46026,12865,0.186183,,,,3.00,0,52,0.0000,0.5239,0.7859,0.6287,0.4181,0.6010,0.4932,0.2500,0.3333,0.2857,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_019_43329_w,0.5994,0.6672,0.6228,44,39,31.42,5,5,5,3.0000,73234,16253,0.254072,,,,3.00,0,108,0.0000,0.5480,0.6323,0.5871,0.8056,0.7140,0.7570,0.6364,0.4516,0.5283,0.4000,0.6667,0.5000,1.0000,1.0000,1.0000 @@ -110,7 +110,7 @@ gpt-5-mini-medium,doi_10_3390__coatings9010016,0.5636,0.5845,0.5684,43,42,10.00, gpt-5-mini-medium,doi_10_3390__e16020870,0.8149,0.8099,0.8124,47,56,22.40,6,6,6,0.0000,15019,6230,0.081074,,,,1.00,0,153,0.0000,0.6298,0.6199,0.6248,0.4000,0.4766,0.4350,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e18050189,0.6250,0.7361,0.6643,10,11,2.75,1,2,1,1.0000,17769,3802,0.060231,,,,1.00,0,26,0.0000,0.5000,0.4722,0.4857,0.2500,0.2750,0.2619,1.0000,1.0000,1.0000,0.7500,1.0000,0.8571,0.5000,1.0000,0.6667 gpt-5-mini-medium,doi_10_3390__e21010015,0.9630,0.9571,0.9600,68,66,58.50,6,6,6,0.0000,18104,5702,0.079650,,,,1.00,0,198,0.0000,0.9260,0.9142,0.9200,0.8864,0.8603,0.8731,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e21020114,0.6610,0.6722,0.6665,98,105,46.70,7,7,7,0.0000,65794,17730,0.259543,,,,3.00,0,202,0.0000,0.4221,0.4302,0.4261,0.4448,0.4765,0.4601,0.6667,0.7143,0.6897,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e21020114,0.6709,0.6822,0.6764,98,105,51.95,7,7,7,0.0000,65794,17730,0.259543,,,,3.00,0,202,0.0000,0.4418,0.4502,0.4459,0.4948,0.5301,0.5118,0.6667,0.7143,0.6897,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21020122,0.5773,0.6050,0.5851,31,26,16.65,8,6,6,1.0000,11120,5959,0.073490,,,,1.00,0,67,0.0000,0.6046,0.6517,0.6273,0.6404,0.5371,0.5842,0.0000,0.0000,0.0000,0.6250,0.8333,0.7143,1.0000,0.7500,0.8571 gpt-5-mini-medium,doi_10_3390__e21020169,0.7076,0.7001,0.6988,63,61,42.17,7,5,5,3.0000,63316,21577,0.294915,,,,3.00,0,220,0.0000,0.6752,0.7303,0.7016,0.6913,0.6693,0.6801,0.4000,0.3333,0.3636,0.8000,0.8889,0.8421,1.0000,0.7143,0.8333 gpt-5-mini-medium,doi_10_3390__e21030288,0.5533,0.6682,0.5876,43,35,12.50,5,5,5,4.0000,124371,21827,0.373734,,,,5.00,0,116,0.0000,0.4851,0.5031,0.4939,0.3571,0.2907,0.3205,0.5000,0.4444,0.4706,0.4286,1.0000,0.6000,1.0000,1.0000,1.0000 @@ -118,4 +118,4 @@ gpt-5-mini-medium,doi_10_3390__e21050448,0.4546,0.6816,0.5362,20,26,9.50,5,5,5,2 gpt-5-mini-medium,doi_10_3390__ma12071136,0.7306,0.7738,0.7504,53,55,34.00,5,5,5,1.0000,101717,19471,0.321856,,,,4.00,0,108,0.0000,0.6279,0.7248,0.6729,0.6182,0.6415,0.6296,0.6667,0.6316,0.6486,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__met10111466,0.6172,0.4823,0.5259,39,22,4.00,7,3,3,1.6667,50622,13055,0.193828,,,,3.00,0,57,0.0000,0.6145,0.4595,0.5258,0.1818,0.1026,0.1311,0.0000,0.0000,0.0000,0.8000,0.9412,0.8649,1.0000,0.4286,0.6000 gpt-5-mini-medium,doi_10_3390__met9030351,0.4575,0.6026,0.5053,14,24,6.55,4,3,3,2.0000,163601,30266,0.507161,,,,8.00,0,72,0.0000,0.3293,0.5802,0.4201,0.2729,0.4679,0.3447,0.0000,0.0000,0.0000,0.7143,1.0000,0.8333,1.0000,0.7500,0.8571 -gpt-5-mini-medium,OVERALL,0.6608,0.7068,0.6806,674,697,368.53,101,91,90,1.6667,914402,234435,3.487353,0.0,0.0,0.0,2.47,0,1836,0.0000,0.5809,0.6429,0.6103,0.5287,0.5468,0.5376,0.5422,0.5056,0.5233,0.7034,0.8792,0.7815,0.9890,0.8911,0.9375 +gpt-5-mini-medium,OVERALL,0.6629,0.7091,0.6828,674,697,377.58,101,91,90,1.6667,914402,234435,3.487353,0.0,0.0,0.0,2.47,0,1836,0.0000,0.5851,0.6476,0.6148,0.5417,0.5602,0.5508,0.5422,0.5056,0.5233,0.7034,0.8792,0.7815,0.9890,0.8911,0.9375 diff --git a/scripts/paper/combined_results/zero_shot_run1.csv b/scripts/paper/combined_results/zero_shot_run1.csv index 6470096..8901779 100644 --- a/scripts/paper/combined_results/zero_shot_run1.csv +++ b/scripts/paper/combined_results/zero_shot_run1.csv @@ -1,6 +1,6 @@ model_name,doi,overall_precision,overall_recall,overall_f1,num_target_items,num_extracted_items,num_matched_items,num_target_materials,num_extracted_materials,num_matched_materials,avg_process_edit_distance,input_tokens,output_tokens,cost_usd,elapsed_seconds,avg_paper_time,max_paper_time,avg_attempts,num_hallucinated,num_total_numbers,hallucination_rate,value_precision,value_recall,value_f1,measurement_precision,measurement_recall,measurement_f1,config_precision,config_recall,config_f1,process_precision,process_recall,process_f1,material_precision,material_recall,material_f1 claude-haiku-4-5,doi_10_1016__j_proeng_2012_03_043,0.6130,0.8161,0.6896,12,28,10.87,4,4,4,3.0000,11982,1724,0.020602,,,,1.00,0,55,0.0000,0.4659,0.7655,0.5793,0.3881,0.9056,0.5433,1.0000,1.0000,1.0000,0.4000,0.6667,0.5000,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_1038__ncomms10602,0.8169,0.9592,0.8750,19,28,17.00,1,1,1,0.0000,43460,6046,0.073690,,,,2.00,0,61,0.0000,0.6338,0.9184,0.7500,0.6071,0.8947,0.7234,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_1038__ncomms10602,0.8445,0.9991,0.9076,19,28,18.92,1,1,1,0.0000,43460,6046,0.073690,,,,2.00,0,61,0.0000,0.6890,0.9983,0.8153,0.6756,0.9956,0.8050,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41467_019_08460_2,0.7045,0.6858,0.6924,18,30,8.00,5,4,4,2.2500,18951,3145,0.034676,,,,1.00,0,49,0.0000,0.6091,0.5982,0.6036,0.2667,0.4444,0.3333,0.7143,0.6667,0.6897,0.7143,0.8333,0.7692,1.0000,0.8000,0.8889 claude-haiku-4-5,doi_10_1038__s41467_019_10533_1,0.8273,0.7717,0.7932,18,21,18.00,7,7,7,1.0000,69142,5284,0.095562,,,,3.00,0,68,0.0000,0.8046,0.8434,0.8235,0.8571,1.0000,0.9231,0.5000,0.3333,0.4000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41598_017_16509_9,0.7105,0.7266,0.7167,16,24,8.70,3,3,3,2.0000,15729,1911,0.025284,,,,1.00,0,41,0.0000,0.6311,0.7076,0.6671,0.3625,0.5437,0.4350,0.5000,0.5000,0.5000,0.8500,0.7391,0.7907,1.0000,1.0000,1.0000 @@ -8,7 +8,7 @@ claude-haiku-4-5,doi_10_1038__s41598_019_43329_w,0.4688,0.4389,0.4525,44,45,29.5 claude-haiku-4-5,doi_10_1155__2019__2157592,0.4799,0.4674,0.4734,18,22,2.00,12,11,11,0.3636,13920,1807,0.022955,,,,1.00,0,86,0.0000,0.3214,0.3214,0.3214,0.0909,0.1111,0.1000,0.0000,0.0000,0.0000,0.8462,0.8462,0.8462,1.0000,0.9167,0.9565 claude-haiku-4-5,doi_10_3390__coatings9010016,0.5109,0.5425,0.5170,43,35,12.00,3,4,3,3.0000,62753,8794,0.106723,,,,3.00,0,92,0.0000,0.4068,0.4528,0.4286,0.3429,0.2791,0.3077,0.5000,0.2500,0.3333,0.6000,0.6429,0.6207,0.7500,1.0000,0.8571 claude-haiku-4-5,doi_10_3390__e16020870,0.8315,0.8827,0.8550,47,51,40.20,6,6,6,0.0000,18033,3589,0.035978,,,,1.00,0,150,0.0000,0.7274,0.7654,0.7459,0.7882,0.8553,0.8204,0.7857,1.0000,0.8800,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_3390__e18050189,0.9607,0.8583,0.9031,10,9,6.55,1,1,1,0.0000,21390,734,0.025060,,,,1.00,0,22,0.0000,0.9214,0.7167,0.8063,0.7278,0.6550,0.6895,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_3390__e18050189,0.9768,0.8708,0.9172,10,9,7.45,1,1,1,0.0000,21390,734,0.025060,,,,1.00,0,22,0.0000,0.9536,0.7417,0.8344,0.8278,0.7450,0.7842,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21010015,0.8197,0.9352,0.8657,68,78,59.33,6,6,6,2.0000,21943,5867,0.051278,,,,1.00,0,219,0.0000,0.7994,0.8976,0.8456,0.7607,0.8725,0.8128,1.0000,0.9091,0.9524,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020114,0.6189,0.5944,0.6050,98,95,39.40,7,7,7,0.0000,49166,9300,0.095666,,,,2.00,0,170,0.0000,0.4252,0.3603,0.3901,0.4147,0.4020,0.4083,0.3750,0.4286,0.4000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020122,0.6341,0.6906,0.6602,31,25,23.00,8,8,8,1.0000,29547,4346,0.051277,,,,2.00,0,77,0.0000,0.7282,0.7812,0.7538,0.9200,0.7419,0.8214,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 @@ -18,19 +18,19 @@ claude-haiku-4-5,doi_10_3390__e21050448,0.3290,0.6237,0.4265,20,56,7.50,5,10,5,1 claude-haiku-4-5,doi_10_3390__ma12071136,0.6490,0.5460,0.5879,53,31,18.00,5,5,5,1.0000,25063,2950,0.039813,,,,1.00,0,64,0.0000,0.6346,0.4430,0.5217,0.5806,0.3396,0.4286,0.1000,0.0526,0.0690,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__met10111466,0.5801,0.5929,0.5722,39,39,12.00,7,4,4,2.0000,38820,7584,0.076740,,,,2.00,0,73,0.0000,0.5405,0.5660,0.5530,0.3077,0.3077,0.3077,0.1765,0.2500,0.2069,0.6667,0.9333,0.7778,1.0000,0.5714,0.7273 claude-haiku-4-5,doi_10_3390__met9030351,0.5099,0.5001,0.4932,14,23,5.50,4,3,3,1.6667,52434,6765,0.086259,,,,3.00,0,53,0.0000,0.3642,0.5086,0.4245,0.2391,0.3929,0.2973,0.0000,0.0000,0.0000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -claude-haiku-4-5,OVERALL,0.6267,0.6335,0.6291,674,742,350.47,101,99,93,1.1290,801223,126606,1.434253,0.0,0.0,0.0,1.95,0,1861,0.0000,0.5260,0.5504,0.5379,0.4723,0.5200,0.4950,0.4296,0.3427,0.3812,0.7920,0.8438,0.8171,0.9394,0.9208,0.9300 +claude-haiku-4-5,OVERALL,0.6277,0.6345,0.6301,674,742,353.28,101,99,93,1.1290,801223,126606,1.434253,0.0,0.0,0.0,1.95,0,1861,0.0000,0.5279,0.5525,0.5399,0.4761,0.5242,0.4990,0.4296,0.3427,0.3812,0.7920,0.8438,0.8171,0.9394,0.9208,0.9300 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.7783,0.9101,0.8296,12,16,10.93,4,4,4,0.0000,20921,5764,0.083791,,,,2.00,0,35,0.0000,0.7067,0.8202,0.7592,0.6833,0.9111,0.7810,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__ncomms10602,0.6314,0.7820,0.6961,19,24,16.33,1,1,1,3.0000,56308,12414,0.194525,,,,3.00,0,48,0.0000,0.6828,0.8639,0.7628,0.6806,0.8596,0.7597,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4909,0.5410,0.5065,18,36,9.25,5,4,4,4.0000,34209,8795,0.130711,,,,2.00,0,60,0.0000,0.3926,0.4487,0.4187,0.2569,0.5139,0.3426,0.2500,0.2000,0.2222,0.5357,0.8333,0.6522,1.0000,0.8000,0.8889 +gpt-5-mini-medium,doi_10_1038__ncomms10602,0.6475,0.8024,0.7141,19,24,17.33,1,1,1,3.0000,56308,12414,0.194525,,,,3.00,0,48,0.0000,0.7151,0.9048,0.7988,0.7222,0.9123,0.8062,0.0000,0.0000,0.0000,0.7000,1.0000,0.8235,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4941,0.5446,0.5099,18,36,10.07,5,4,4,4.0000,34209,8795,0.130711,,,,2.00,0,60,0.0000,0.3990,0.4560,0.4256,0.2796,0.5593,0.3728,0.2500,0.2000,0.2222,0.5357,0.8333,0.6522,1.0000,0.8000,0.8889 gpt-5-mini-medium,doi_10_1038__s41467_019_10533_1,0.6719,0.6410,0.6539,18,18,9.00,7,7,7,0.0000,17662,5290,0.074978,,,,1.00,0,53,0.0000,0.4938,0.4819,0.4878,0.5000,0.5000,0.5000,0.5000,0.3333,0.4000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_017_16509_9,0.6776,0.7466,0.7086,16,22,9.20,3,3,3,1.0000,12900,6459,0.080715,,,,1.00,0,39,0.0000,0.6074,0.7455,0.6694,0.4182,0.5750,0.4842,0.3333,0.3333,0.3333,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_019_43329_w,0.5191,0.5191,0.5191,44,53,28.67,5,5,5,1.0000,72041,13303,0.223081,,,,3.00,0,103,0.0000,0.4714,0.4714,0.4714,0.5409,0.6515,0.5911,0.0000,0.0000,0.0000,0.6667,0.6667,0.6667,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1155__2019__2157592,0.5456,0.7053,0.6067,18,31,13.00,12,11,11,2.6364,42415,15984,0.212859,,,,3.00,0,83,0.0000,0.6233,0.8125,0.7054,0.4194,0.7222,0.5306,0.0000,0.0000,0.0000,0.4200,0.8077,0.5526,1.0000,0.9167,0.9565 gpt-5-mini-medium,doi_10_3390__coatings9010016,0.4556,0.4054,0.4221,43,45,6.00,3,3,3,2.3333,76247,21643,0.311739,,,,4.00,0,103,0.0000,0.2066,0.2358,0.2203,0.1333,0.1395,0.1364,0.5000,0.2500,0.3333,0.6364,0.5000,0.5600,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e16020870,0.9256,0.9298,0.9265,47,49,43.20,6,6,6,0.0000,32709,9137,0.132256,,,,2.00,0,146,0.0000,0.8973,0.8597,0.8781,0.8816,0.9191,0.9000,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e18050189,0.8318,0.8889,0.8500,10,10,5.75,1,1,1,2.0000,36535,6321,0.108879,,,,2.00,0,26,0.0000,0.8235,0.7778,0.8000,0.5750,0.5750,0.5750,1.0000,1.0000,1.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e18050189,0.8450,0.9014,0.8629,10,10,6.65,1,1,1,2.0000,36535,6321,0.108879,,,,2.00,0,26,0.0000,0.8500,0.8028,0.8257,0.6650,0.6650,0.6650,1.0000,1.0000,1.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21010015,0.9690,0.9650,0.9670,68,74,66.50,6,6,6,0.0000,18097,7970,0.102321,,,,1.00,0,199,0.0000,0.9380,0.9301,0.9340,0.8986,0.9779,0.9366,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e21020114,0.6648,0.6558,0.6602,98,107,45.70,7,7,7,0.0000,96435,24068,0.361224,,,,4.00,0,204,0.0000,0.4219,0.4187,0.4203,0.4271,0.4663,0.4459,0.6923,0.6429,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e21020114,0.6749,0.6658,0.6702,98,107,50.95,7,7,7,0.0000,96435,24068,0.361224,,,,4.00,0,204,0.0000,0.4421,0.4387,0.4404,0.4762,0.5199,0.4971,0.6923,0.6429,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21020122,0.6200,0.5956,0.5967,31,25,14.00,8,5,5,1.0000,23809,7699,0.106751,,,,2.00,0,57,0.0000,0.6829,0.6437,0.6627,0.5600,0.4516,0.5000,0.0000,0.0000,0.0000,0.6429,0.9000,0.7500,1.0000,0.6250,0.7692 gpt-5-mini-medium,doi_10_3390__e21020169,0.6202,0.6916,0.6518,63,71,37.75,7,7,7,1.8571,37561,16403,0.210981,,,,2.00,0,275,0.0000,0.5762,0.7198,0.6401,0.5317,0.5992,0.5634,0.0952,0.1111,0.1026,0.8387,0.8254,0.8320,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21030288,0.6686,0.6528,0.6604,43,38,13.50,5,5,5,0.0000,95471,16410,0.283439,,,,4.00,0,129,0.0000,0.4873,0.4722,0.4796,0.3553,0.3140,0.3333,0.5000,0.4444,0.4706,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ gpt-5-mini-medium,doi_10_3390__e21050448,0.3894,0.8214,0.5267,20,25,9.25,5,10,5, gpt-5-mini-medium,doi_10_3390__ma12071136,0.6977,0.7550,0.7233,53,62,35.75,5,5,5,1.0000,72140,17081,0.260985,,,,3.00,0,120,0.0000,0.5787,0.7030,0.6348,0.5766,0.6745,0.6217,0.6111,0.5789,0.5946,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__met10111466,0.5933,0.4823,0.5167,39,24,4.00,7,3,3,1.6667,31112,8470,0.123590,,,,2.00,0,57,0.0000,0.5667,0.4595,0.5075,0.1667,0.1026,0.1270,0.0000,0.0000,0.0000,0.8000,0.9412,0.8649,1.0000,0.4286,0.6000 gpt-5-mini-medium,doi_10_3390__met9030351,0.6068,0.6452,0.6116,14,19,7.55,4,3,3,2.0000,42782,10408,0.157557,,,,3.00,0,56,0.0000,0.5386,0.6754,0.5993,0.3974,0.5393,0.4576,0.2500,0.5000,0.3333,0.7500,0.6000,0.6667,1.0000,0.7500,0.8571 -gpt-5-mini-medium,OVERALL,0.6431,0.6856,0.6626,674,749,385.33,101,96,91,1.2747,846183,226222,3.319949,0.0,0.0,0.0,2.42,0,1903,0.0000,0.5795,0.6406,0.6085,0.5145,0.5717,0.5416,0.3976,0.3708,0.3837,0.7576,0.8726,0.8111,0.9479,0.9010,0.9239 +gpt-5-mini-medium,OVERALL,0.6448,0.6875,0.6644,674,749,393.30,101,96,91,1.2747,846183,226222,3.319949,0.0,0.0,0.0,2.42,0,1903,0.0000,0.5829,0.6444,0.6121,0.5251,0.5835,0.5528,0.3976,0.3708,0.3837,0.7576,0.8726,0.8111,0.9479,0.9010,0.9239 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.8802,0.9345,0.9056,12,20,10.67,4,4,4,0.0000,10553,4084,0.017528,,,,1.00,0,43,0.0000,0.7604,0.8690,0.8111,0.5333,0.8889,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__ncomms10602,0.6102,0.7398,0.6631,19,27,15.00,1,1,1,1.0000,38050,12598,0.056819,,,,2.00,0,54,0.0000,0.5775,0.8367,0.6833,0.5556,0.7895,0.6522,0.0000,0.0000,0.0000,0.8571,0.8571,0.8571,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.7057,0.5696,0.6221,18,29,10.25,5,5,5,1.0000,16693,7139,0.029763,,,,1.00,0,55,0.0000,0.6114,0.4688,0.5307,0.3534,0.5694,0.4362,0.4000,0.1333,0.2000,0.9500,0.8261,0.8837,1.0000,1.0000,1.0000 @@ -48,7 +48,7 @@ gemini-3-flash,doi_10_1038__s41598_019_43329_w,0.7241,0.6086,0.6133,44,66,32.25, gemini-3-flash,doi_10_1155__2019__2157592,0.6935,0.8525,0.7480,18,28,14.75,12,10,10,0.4000,27194,12235,0.050302,,,,2.00,0,109,0.0000,0.6250,0.8218,0.7100,0.5268,0.8194,0.6413,0.4286,1.0000,0.6000,0.8333,0.8333,0.8333,1.0000,0.8333,0.9091 gemini-3-flash,doi_10_3390__coatings9010016,0.5668,0.4574,0.4907,43,22,8.00,3,4,3,2.0000,98901,34746,0.153689,,,,5.00,0,75,0.0000,0.3587,0.3113,0.3333,0.3636,0.1860,0.2462,0.5000,0.2500,0.3333,1.0000,0.5714,0.7273,0.7500,1.0000,0.8571 gemini-3-flash,doi_10_3390__e16020870,0.9421,0.9513,0.9466,47,52,42.40,6,6,6,0.0000,317263,100771,0.460944,,,,11.00,0,160,0.0000,0.8841,0.9026,0.8933,0.8154,0.9021,0.8566,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini-3-flash,doi_10_3390__e18050189,0.9076,0.8736,0.8899,10,9,6.65,1,1,1,0.0000,18918,3465,0.019854,,,,1.00,0,25,0.0000,0.8152,0.7472,0.7797,0.7389,0.6650,0.7000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini-3-flash,doi_10_3390__e18050189,0.9366,0.9002,0.9176,10,9,7.57,1,1,1,0.0000,18918,3465,0.019854,,,,1.00,0,25,0.0000,0.8732,0.8005,0.8353,0.8407,0.7567,0.7965,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21010015,0.9292,0.9592,0.9428,68,80,63.67,6,6,6,0.0000,19382,13150,0.049141,,,,1.00,0,226,0.0000,0.8583,0.9456,0.8999,0.7958,0.9363,0.8604,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21020114,0.7495,0.7502,0.7495,98,98,51.22,7,7,7,0.0000,70234,31105,0.128432,,,,3.00,0,221,0.0000,0.4990,0.5218,0.5101,0.5226,0.5226,0.5226,1.0000,0.9286,0.9630,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__e21020122,0.7837,0.7927,0.7881,31,28,25.00,8,8,8,0.0000,58999,25625,0.106374,,,,4.00,0,75,0.0000,0.8673,0.8854,0.8763,0.8929,0.8065,0.8475,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -58,10 +58,10 @@ gemini-3-flash,doi_10_3390__e21050448,0.6613,0.8632,0.7419,20,28,13.50,5,5,5,0.8 gemini-3-flash,doi_10_3390__ma12071136,0.8850,0.7443,0.7968,53,65,44.00,5,5,5,3.0000,76996,19909,0.098225,,,,3.00,0,117,0.0000,0.7887,0.7517,0.7698,0.6769,0.8302,0.7458,0.9375,0.7895,0.8571,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_3390__met10111466,0.7928,0.7899,0.7890,39,36,23.00,7,6,6,0.3333,15624,8789,0.034179,,,,1.00,0,89,0.0000,0.7355,0.7876,0.7607,0.6389,0.5897,0.6133,0.5000,0.5833,0.5385,1.0000,0.9000,0.9474,1.0000,0.8571,0.9231 gemini-3-flash,doi_10_3390__met9030351,0.6272,0.6553,0.6223,14,21,6.80,4,3,3,1.6667,45826,18193,0.077492,,,,3.00,0,50,0.0000,0.5389,0.6690,0.5969,0.3238,0.4857,0.3886,0.2000,0.5000,0.2857,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -gemini-3-flash,OVERALL,0.7247,0.7207,0.7217,674,774,438.83,101,98,97,1.2784,1084407,401363,1.746293,0.0,0.0,0.0,2.63,0,1953,0.0000,0.6416,0.6852,0.6627,0.5670,0.6511,0.6061,0.5921,0.5056,0.5455,0.8329,0.7910,0.8114,0.9898,0.9604,0.9749 +gemini-3-flash,OVERALL,0.7250,0.7211,0.7221,674,774,439.75,101,98,97,1.2784,1084407,401363,1.746293,0.0,0.0,0.0,2.63,0,1953,0.0000,0.6423,0.6860,0.6635,0.5682,0.6524,0.6074,0.5921,0.5056,0.5455,0.8329,0.7910,0.8114,0.9898,0.9604,0.9749 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9315,0.9315,0.9315,12,16,10.33,4,4,4,0.0000,25490,2914,0.200300,,,,2.00,0,35,0.0000,0.8631,0.8631,0.8631,0.6458,0.8611,0.7381,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.4919,0.6561,0.5453,19,27,10.00,1,3,1,0.0000,20217,2603,0.166160,,,,1.00,0,63,0.0000,0.4839,0.6122,0.5405,0.3704,0.5263,0.4348,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 -claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8918,0.6131,0.7052,18,17,8.90,5,5,5,0.8000,18951,2195,0.149630,,,,1.00,0,47,0.0000,0.7835,0.5158,0.6221,0.5235,0.4944,0.5086,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.5081,0.6765,0.5633,19,27,11.00,1,3,1,0.0000,20217,2603,0.166160,,,,1.00,0,63,0.0000,0.5161,0.6531,0.5766,0.4074,0.5789,0.4783,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.8975,0.6169,0.7097,18,17,9.80,5,5,5,0.8000,18951,2195,0.149630,,,,1.00,0,47,0.0000,0.7949,0.5233,0.6312,0.5765,0.5444,0.5600,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9057,0.8337,0.8644,18,18,18.00,7,7,7,2.0000,21221,1544,0.144705,,,,1.00,0,53,0.0000,0.9114,0.8675,0.8889,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7114,0.7574,0.7329,16,19,10.62,3,3,3,1.0000,15729,1969,0.127870,,,,1.00,0,37,0.0000,0.6749,0.7669,0.7180,0.5588,0.6635,0.6067,0.3333,0.3333,0.3333,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_019_43329_w,0.7000,0.6070,0.6464,44,35,28.50,5,5,5,0.0000,57432,8304,0.494760,,,,2.00,0,110,0.0000,0.7000,0.5140,0.5927,0.8143,0.6477,0.7215,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -70,7 +70,7 @@ claude-opus-4-6,doi_10_3390__coatings9010016,0.4514,0.3864,0.4037,43,19,4.00,3,2 claude-opus-4-6,doi_10_3390__e16020870,0.9183,0.9298,0.9230,47,47,43.20,6,6,6,0.0000,18033,3361,0.174190,,,,1.00,0,138,0.0000,0.8828,0.8597,0.8711,0.9191,0.9191,0.9191,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e18050189,0.9339,0.8736,0.9015,10,9,6.90,1,1,1,0.0000,21390,1060,0.133450,,,,1.00,0,25,0.0000,0.8677,0.7472,0.8030,0.7667,0.6900,0.7263,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21010015,0.9827,0.8828,0.9290,68,63,60.50,6,5,5,0.0000,21943,4913,0.232540,,,,1.00,0,181,0.0000,0.9655,0.8702,0.9153,0.9603,0.8897,0.9237,1.0000,0.8182,0.9000,1.0000,1.0000,1.0000,1.0000,0.8333,0.9091 -claude-opus-4-6,doi_10_3390__e21020114,0.7148,0.6936,0.7039,98,97,46.70,7,7,7,0.0000,49733,10136,0.502065,,,,2.00,0,196,0.0000,0.4526,0.4302,0.4411,0.4814,0.4765,0.4790,0.9231,0.8571,0.8889,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_3390__e21020114,0.7288,0.7070,0.7176,98,97,53.70,7,7,7,0.0000,49733,10136,0.502065,,,,2.00,0,196,0.0000,0.4807,0.4569,0.4685,0.5536,0.5480,0.5508,0.9231,0.8571,0.8889,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21020122,0.6236,0.5554,0.5755,31,15,12.00,8,5,5,1.0000,13658,1405,0.103415,,,,1.00,0,52,0.0000,0.6901,0.5632,0.6203,0.8000,0.3871,0.5217,0.0000,0.0000,0.0000,0.6429,0.9000,0.7500,1.0000,0.6250,0.7692 claude-opus-4-6,doi_10_3390__e21020169,0.7802,0.7933,0.7841,63,61,43.00,7,7,7,1.5714,19913,5926,0.247715,,,,1.00,0,222,0.0000,0.7323,0.7564,0.7441,0.7049,0.6825,0.6935,0.5000,0.6667,0.5714,0.9455,0.8254,0.8814,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21030288,0.4800,0.5025,0.4903,43,52,10.40,5,5,5,0.0000,52639,9313,0.496020,,,,2.00,0,156,0.0000,0.2600,0.3049,0.2807,0.2000,0.2419,0.2189,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -78,10 +78,10 @@ claude-opus-4-6,doi_10_3390__e21050448,0.3481,0.6434,0.4484,20,47,9.50,5,10,5,1. claude-opus-4-6,doi_10_3390__ma12071136,0.9444,0.7869,0.8475,53,50,46.00,5,5,5,3.0000,88261,12305,0.748930,,,,3.00,0,108,0.0000,0.8889,0.8054,0.8451,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.5060,0.4528,0.4542,39,14,3.00,7,3,3,2.6667,17492,2594,0.152310,,,,1.00,0,49,0.0000,0.4719,0.4078,0.4375,0.2143,0.0769,0.1132,0.0000,0.0000,0.0000,0.6000,0.9231,0.7273,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6981,0.6512,0.6491,14,14,8.30,4,3,3,2.0000,32630,3873,0.259975,,,,2.00,0,43,0.0000,0.6463,0.6873,0.6662,0.5929,0.5929,0.5929,0.1667,0.5000,0.2500,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7201,0.7004,0.7092,674,649,396.35,101,98,91,1.0769,601269,95672,5.398145,0.0,0.0,0.0,1.53,0,1819,0.0000,0.6468,0.6476,0.6472,0.6107,0.5881,0.5992,0.5887,0.4663,0.5204,0.8459,0.8575,0.8517,0.9286,0.9010,0.9146 +claude-opus-4-6,OVERALL,0.7222,0.7025,0.7113,674,649,405.25,101,98,91,1.0769,601269,95672,5.398145,0.0,0.0,0.0,1.53,0,1819,0.0000,0.6509,0.6518,0.6513,0.6244,0.6013,0.6126,0.5887,0.4663,0.5204,0.8459,0.8575,0.8517,0.9286,0.9010,0.9146 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.8343,0.9970,0.8989,12,12,11.67,4,4,4,0.0000,9863,8587,0.098199,,,,1.00,0,35,0.0000,0.8186,0.9940,0.8978,0.9722,0.9722,0.9722,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__ncomms10602,0.6651,0.7616,0.7069,19,26,14.33,1,1,1,0.0000,16657,13412,0.154941,,,,1.00,0,54,0.0000,0.6302,0.8231,0.7139,0.5513,0.7544,0.6370,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.8195,0.6896,0.7292,18,19,8.90,5,6,5,0.0000,15837,15310,0.172896,,,,1.00,0,58,0.0000,0.7490,0.5992,0.6657,0.4684,0.4944,0.4811,0.8000,0.2667,0.4000,1.0000,1.0000,1.0000,0.8333,1.0000,0.9091 +gpt-5-2-high,doi_10_1038__ncomms10602,0.6964,0.8024,0.7423,19,26,16.33,1,1,1,0.0000,16657,13412,0.154941,,,,1.00,0,54,0.0000,0.6927,0.9048,0.7847,0.6282,0.8596,0.7259,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.8486,0.7128,0.7551,18,19,9.73,5,6,5,0.0000,15837,15310,0.172896,,,,1.00,0,58,0.0000,0.8071,0.6457,0.7174,0.5123,0.5407,0.5261,0.8000,0.2667,0.4000,1.0000,1.0000,1.0000,0.8333,1.0000,0.9091 gpt-5-2-high,doi_10_1038__s41467_019_10533_1,0.8951,0.8898,0.8924,18,16,16.00,7,7,7,2.0000,17662,6050,0.082577,,,,1.00,0,51,0.0000,0.8902,0.8795,0.8848,1.0000,0.8889,0.9412,1.0000,1.0000,1.0000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_017_16509_9,0.6714,0.7544,0.7068,16,21,10.12,3,3,3,1.3333,12900,17073,0.186855,,,,1.00,0,48,0.0000,0.5973,0.7783,0.6759,0.4817,0.6323,0.5468,0.3333,0.3333,0.3333,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_019_43329_w,0.5419,0.7043,0.6065,44,39,26.25,5,5,5,1.0000,21044,18628,0.212585,,,,1.00,0,143,0.0000,0.3838,0.6119,0.4717,0.6731,0.5966,0.6325,0.3333,0.3226,0.3279,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 @@ -90,7 +90,7 @@ gpt-5-2-high,doi_10_3390__coatings9010016,0.3140,0.2307,0.2252,43,30,0.00,3,5,3, gpt-5-2-high,doi_10_3390__e16020870,0.7971,0.9804,0.8754,47,47,41.25,6,6,6,1.6667,15012,17959,0.198355,,,,1.00,0,167,0.0000,0.8013,0.9607,0.8738,0.8777,0.8777,0.8777,0.7857,1.0000,0.8800,0.6429,1.0000,0.7826,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e18050189,0.8700,0.8597,0.8648,10,10,6.65,1,1,1,0.0000,17762,9867,0.120872,,,,1.00,0,29,0.0000,0.7400,0.7194,0.7296,0.6650,0.6650,0.6650,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21010015,0.8514,0.8735,0.8613,68,80,52.50,6,6,6,0.0000,18097,17075,0.193371,,,,1.00,0,226,0.0000,0.7029,0.7744,0.7369,0.6562,0.7721,0.7095,1.0000,0.9091,0.9524,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_3390__e21020114,0.5121,0.5520,0.5299,98,113,35.50,7,7,7,0.0000,68285,43235,0.517706,,,,3.00,0,243,0.0000,0.3075,0.3826,0.3410,0.3142,0.3622,0.3365,0.0556,0.0714,0.0625,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_3390__e21020114,0.5201,0.5621,0.5388,98,113,40.75,7,7,7,0.0000,68285,43235,0.517706,,,,3.00,0,243,0.0000,0.3236,0.4027,0.3588,0.3606,0.4158,0.3863,0.0556,0.0714,0.0625,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020122,0.6416,0.7219,0.6785,31,29,24.00,8,8,8,1.0000,11113,18700,0.200891,,,,1.00,0,81,0.0000,0.7431,0.8438,0.7902,0.8276,0.7742,0.8000,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020169,0.7562,0.7139,0.7275,63,64,41.00,7,7,7,3.2857,37743,37357,0.420749,,,,2.00,0,212,0.0000,0.6880,0.6905,0.6892,0.6406,0.6508,0.6457,0.4783,0.6111,0.5366,0.9524,0.6349,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21030288,0.7222,0.8250,0.7634,43,39,23.10,5,5,5,0.0000,41949,27505,0.327486,,,,2.00,0,142,0.0000,0.6209,0.7167,0.6653,0.5923,0.5372,0.5634,0.4118,0.7778,0.5385,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -98,9 +98,9 @@ gpt-5-2-high,doi_10_3390__e21050448,0.4843,0.8368,0.5879,20,27,14.40,5,11,5,0.40 gpt-5-2-high,doi_10_3390__ma12071136,0.8396,0.7869,0.8077,53,55,46.00,5,5,5,3.0000,44273,34186,0.397201,,,,2.00,0,113,0.0000,0.7792,0.8054,0.7921,0.8364,0.8679,0.8519,1.0000,0.8947,0.9444,0.7500,0.5000,0.6000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met10111466,0.5902,0.8363,0.6820,39,46,16.00,7,7,7,2.1429,32343,28334,0.323769,,,,2.00,0,117,0.0000,0.5238,0.7920,0.6306,0.3478,0.4103,0.3765,0.3000,0.7500,0.4286,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met9030351,0.5000,0.5131,0.4904,14,18,4.00,4,3,3,1.6667,26832,33699,0.370530,,,,2.00,0,47,0.0000,0.3444,0.5345,0.4189,0.2222,0.2857,0.2500,0.0000,0.0000,0.0000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -gpt-5-2-high,OVERALL,0.6649,0.7466,0.7015,674,708,408.42,101,109,100,1.1500,445550,411347,4.670407,0.0,0.0,0.0,1.37,0,2048,0.0000,0.5911,0.7033,0.6423,0.5769,0.6060,0.5911,0.4177,0.5562,0.4771,0.8453,0.8149,0.8298,0.9174,0.9901,0.9524 +gpt-5-2-high,OVERALL,0.6675,0.7496,0.7044,674,708,416.50,101,109,100,1.1500,445550,411347,4.670407,0.0,0.0,0.0,1.37,0,2048,0.0000,0.5963,0.7094,0.6479,0.5883,0.6180,0.6027,0.4177,0.5562,0.4771,0.8453,0.8149,0.8298,0.9174,0.9901,0.9524 gemini-3.1-pro,doi_10_1016__j_proeng_2012_03_043,0.9465,0.8827,0.9122,12,16,10.87,4,4,4,0.0000,10553,4828,0.079042,,,,1.00,0,27,0.0000,0.8931,0.7655,0.8244,0.6792,0.9056,0.7762,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gemini-3.1-pro,doi_10_1038__ncomms10602,0.7462,0.7786,0.7618,19,20,15.00,1,1,1,0.0000,17749,9818,0.153314,,,,1.00,0,44,0.0000,0.7925,0.8571,0.8235,0.7500,0.7895,0.7692,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gemini-3.1-pro,doi_10_1038__ncomms10602,0.7840,0.8194,0.8010,19,20,17.00,1,1,1,0.0000,17749,9818,0.153314,,,,1.00,0,44,0.0000,0.8679,0.9388,0.9020,0.8500,0.8947,0.8718,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41467_019_08460_2,0.8457,0.6252,0.6892,18,13,9.80,5,5,5,2.4000,34651,11339,0.205370,,,,2.00,0,41,0.0000,0.8100,0.5400,0.6480,0.7538,0.5444,0.6323,1.0000,0.2667,0.4211,0.7037,0.8261,0.7600,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41467_019_10533_1,0.8500,0.7967,0.8194,18,18,16.00,7,7,7,2.0000,18769,6567,0.116342,,,,1.00,0,53,0.0000,0.8750,0.8434,0.8589,0.8889,0.8889,0.8889,0.7500,0.5000,0.6000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41598_017_16509_9,0.8757,0.8616,0.8672,16,19,14.62,3,3,3,1.3333,13780,10749,0.156548,,,,1.00,0,37,0.0000,0.8060,0.8427,0.8240,0.7693,0.9135,0.8352,1.0000,0.8333,0.9091,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -118,4 +118,4 @@ gemini-3.1-pro,doi_10_3390__e21050448,0.6530,0.8621,0.7286,20,17,15.00,5,4,4,3.2 gemini-3.1-pro,doi_10_3390__ma12071136,0.9462,0.7735,0.8408,53,54,42.00,5,5,5,3.0000,47112,20673,0.342300,,,,2.00,0,112,0.0000,0.8923,0.7785,0.8315,0.7778,0.7925,0.7850,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_3390__met10111466,0.6869,0.5327,0.5789,39,16,12.00,7,3,3,3.3333,32888,13000,0.221776,,,,2.00,0,51,0.0000,0.6438,0.4476,0.5281,0.7500,0.3077,0.4364,0.7000,0.5833,0.6364,0.5500,0.7857,0.6471,1.0000,0.4286,0.6000 gemini-3.1-pro,doi_10_3390__met9030351,0.5817,0.5217,0.5454,14,15,5.00,4,3,3,1.6667,44113,13684,0.252434,,,,3.00,0,44,0.0000,0.5079,0.5517,0.5289,0.3333,0.3571,0.3448,0.0000,0.0000,0.0000,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 -gemini-3.1-pro,OVERALL,0.8048,0.7675,0.7845,674,642,463.30,101,93,93,0.9140,540609,268047,4.297782,0.0,0.0,0.0,1.58,0,1822,0.0000,0.7429,0.7382,0.7406,0.7217,0.6874,0.7041,0.7357,0.5787,0.6478,0.8649,0.8672,0.8660,1.0000,0.9208,0.9588 +gemini-3.1-pro,OVERALL,0.8056,0.7683,0.7853,674,642,465.30,101,93,93,0.9140,540609,268047,4.297782,0.0,0.0,0.0,1.58,0,1822,0.0000,0.7446,0.7399,0.7422,0.7248,0.6904,0.7071,0.7357,0.5787,0.6478,0.8649,0.8672,0.8660,1.0000,0.9208,0.9588 diff --git a/scripts/paper/combined_results/zero_shot_run2.csv b/scripts/paper/combined_results/zero_shot_run2.csv index 0735989..b51b892 100644 --- a/scripts/paper/combined_results/zero_shot_run2.csv +++ b/scripts/paper/combined_results/zero_shot_run2.csv @@ -1,6 +1,6 @@ model_name,doi,overall_precision,overall_recall,overall_f1,num_target_items,num_extracted_items,num_matched_items,num_target_materials,num_extracted_materials,num_matched_materials,avg_process_edit_distance,input_tokens,output_tokens,cost_usd,elapsed_seconds,avg_paper_time,max_paper_time,avg_attempts,num_hallucinated,num_total_numbers,hallucination_rate,value_precision,value_recall,value_f1,measurement_precision,measurement_recall,measurement_f1,config_precision,config_recall,config_f1,process_precision,process_recall,process_f1,material_precision,material_recall,material_f1 claude-haiku-4-5,doi_10_1016__j_proeng_2012_03_043,0.5867,0.6881,0.6284,12,28,10.87,4,4,4,0.0000,11982,1576,0.019862,,,,1.00,0,55,0.0000,0.4733,0.6762,0.5569,0.3881,0.9056,0.5433,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_1038__ncomms10602,0.6544,0.9592,0.7435,19,29,17.00,1,1,1,0.0000,68878,8179,0.109773,,,,3.00,0,62,0.0000,0.5488,0.9184,0.6870,0.5862,0.8947,0.7083,0.2000,1.0000,0.3333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_1038__ncomms10602,0.6788,1.0000,0.7740,19,29,19.00,1,1,1,0.0000,68878,8179,0.109773,,,,3.00,0,62,0.0000,0.5976,1.0000,0.7481,0.6552,1.0000,0.7917,0.2000,1.0000,0.3333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41467_019_08460_2,0.7169,0.6388,0.6666,18,34,10.90,5,6,5,1.8000,18951,3283,0.035366,,,,1.00,0,62,0.0000,0.5991,0.5742,0.5864,0.3206,0.6056,0.4192,0.6154,0.5333,0.5714,1.0000,0.6087,0.7568,0.8333,1.0000,0.9091 claude-haiku-4-5,doi_10_1038__s41467_019_10533_1,0.8096,0.7717,0.7837,18,26,18.00,7,7,7,1.0000,21221,1969,0.031066,,,,1.00,0,72,0.0000,0.7692,0.8434,0.8046,0.6923,1.0000,0.8182,0.5000,0.3333,0.4000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_1038__s41598_017_16509_9,0.6526,0.7686,0.7012,16,25,7.80,3,3,3,1.0000,15729,2347,0.027464,,,,1.00,0,43,0.0000,0.5674,0.7394,0.6421,0.3120,0.4875,0.3805,0.3000,0.5000,0.3750,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 @@ -8,29 +8,29 @@ claude-haiku-4-5,doi_10_1038__s41598_019_43329_w,0.4752,0.5048,0.4879,44,49,29.5 claude-haiku-4-5,doi_10_1155__2019__2157592,0.5903,0.7870,0.6570,18,27,13.00,12,10,10,1.2000,51672,9625,0.099797,,,,3.00,0,85,0.0000,0.5973,0.8241,0.6926,0.4815,0.7222,0.5778,0.0556,0.3333,0.0952,0.6667,1.0000,0.8000,1.0000,0.8333,0.9091 claude-haiku-4-5,doi_10_3390__coatings9010016,0.4269,0.4384,0.3800,43,60,8.00,3,9,3,2.3333,138591,25377,0.265476,,,,5.00,0,149,0.0000,0.2038,0.3019,0.2433,0.1333,0.1860,0.1553,0.5000,0.2500,0.3333,1.0000,0.5000,0.6667,0.3333,1.0000,0.5000 claude-haiku-4-5,doi_10_3390__e16020870,0.8834,0.8958,0.8886,47,50,41.20,6,6,6,0.0000,39403,6637,0.072588,,,,2.00,0,149,0.0000,0.8129,0.7916,0.8021,0.8240,0.8766,0.8495,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-haiku-4-5,doi_10_3390__e18050189,0.9434,0.8572,0.8956,10,10,6.47,1,1,1,0.0000,21390,931,0.026045,,,,1.00,0,23,0.0000,0.8868,0.7144,0.7913,0.6467,0.6467,0.6467,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_3390__e18050189,0.9589,0.8697,0.9095,10,10,7.37,1,1,1,0.0000,21390,931,0.026045,,,,1.00,0,23,0.0000,0.9178,0.7394,0.8190,0.7367,0.7367,0.7367,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21010015,0.8137,0.9352,0.8623,68,80,59.33,6,6,6,2.0000,21943,5968,0.051783,,,,1.00,0,223,0.0000,0.7875,0.8976,0.8389,0.7417,0.8725,0.8018,1.0000,0.9091,0.9524,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020114,0.7062,0.7301,0.7149,98,104,56.40,7,7,7,0.0000,49857,10626,0.102987,,,,2.00,0,202,0.0000,0.5474,0.5244,0.5357,0.5423,0.5755,0.5584,0.5500,0.7857,0.6471,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020122,0.6224,0.7258,0.6689,31,32,24.75,8,8,8,1.0000,29641,4560,0.052441,,,,2.00,0,88,0.0000,0.7047,0.8516,0.7712,0.7734,0.7984,0.7857,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020169,0.6475,0.5552,0.5953,63,66,23.33,7,6,6,2.3333,78177,18445,0.170402,,,,3.00,0,222,0.0000,0.4641,0.4569,0.4604,0.3535,0.3704,0.3618,0.5000,0.3333,0.4000,0.9524,0.7407,0.8333,1.0000,0.8571,0.9231 -claude-haiku-4-5,doi_10_3390__e21030288,0.4201,0.4210,0.4206,43,60,4.00,5,5,5,0.0000,86013,13934,0.155683,,,,3.00,0,128,0.0000,0.1402,0.1420,0.1411,0.0667,0.0930,0.0777,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_3390__e21030288,0.4293,0.4302,0.4298,43,60,7.00,5,5,5,0.0000,86013,13934,0.155683,,,,3.00,0,128,0.0000,0.1585,0.1605,0.1595,0.1167,0.1628,0.1359,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21050448,0.2726,0.5280,0.3524,20,50,4.25,5,10,5,1.8000,57034,12757,0.120819,,,,3.00,0,136,0.0000,0.1186,0.3059,0.1710,0.0850,0.2125,0.1214,0.0526,0.2500,0.0870,0.6522,0.9375,0.7692,0.5000,1.0000,0.6667 claude-haiku-4-5,doi_10_3390__ma12071136,0.7211,0.6212,0.6631,53,31,18.75,5,5,5,0.0000,54329,7324,0.090949,,,,2.00,0,62,0.0000,0.6893,0.4950,0.5762,0.6048,0.3538,0.4464,0.1765,0.1579,0.1667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__met10111466,0.5760,0.6074,0.5878,39,43,12.00,7,6,6,1.3333,39668,9299,0.086163,,,,2.00,0,89,0.0000,0.5352,0.6537,0.5886,0.2791,0.3077,0.2927,0.0000,0.0000,0.0000,0.7917,0.7600,0.7755,1.0000,0.8571,0.9231 claude-haiku-4-5,doi_10_3390__met9030351,0.6509,0.7728,0.6876,14,21,7.55,4,3,3,0.0000,74062,8623,0.117177,,,,4.00,0,54,0.0000,0.5517,0.7706,0.6430,0.3595,0.5393,0.4314,0.1667,0.5000,0.2500,1.0000,1.0000,1.0000,1.0000,0.7500,0.8571 -claude-haiku-4-5,OVERALL,0.6135,0.6706,0.6401,674,825,373.10,101,108,96,0.9792,972309,165639,1.800504,0.0,0.0,0.0,2.26,0,2021,0.0000,0.5150,0.5940,0.5517,0.4522,0.5536,0.4978,0.3462,0.4045,0.3731,0.8537,0.8515,0.8526,0.8889,0.9505,0.9187 +claude-haiku-4-5,OVERALL,0.6149,0.6722,0.6417,674,825,379.00,101,108,96,0.9792,972309,165639,1.800504,0.0,0.0,0.0,2.26,0,2021,0.0000,0.5178,0.5974,0.5548,0.4594,0.5623,0.5057,0.3462,0.4045,0.3731,0.8537,0.8515,0.8526,0.8889,0.9505,0.9187 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.8052,0.9345,0.8556,12,16,10.67,4,4,4,0.0000,9863,4523,0.057559,,,,1.00,0,39,0.0000,0.7604,0.8690,0.8111,0.6667,0.8889,0.7619,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__ncomms10602,0.5737,0.7024,0.6250,19,32,14.33,1,1,1,1.0000,16657,7405,0.094871,,,,1.00,0,56,0.0000,0.5045,0.7619,0.6070,0.4479,0.7544,0.5621,0.0000,0.0000,0.0000,0.8571,0.8571,0.8571,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4744,0.4662,0.4665,18,41,6.50,5,6,5,2.6000,33985,8979,0.132271,,,,2.00,0,73,0.0000,0.4427,0.3542,0.3935,0.1585,0.3611,0.2203,0.0000,0.0000,0.0000,0.6400,0.6957,0.6667,0.8333,1.0000,0.9091 +gpt-5-mini-medium,doi_10_1038__ncomms10602,0.6007,0.7432,0.6575,19,32,16.33,1,1,1,1.0000,16657,7405,0.094871,,,,1.00,0,56,0.0000,0.5586,0.8435,0.6721,0.5104,0.8596,0.6405,0.0000,0.0000,0.0000,0.8571,0.8571,0.8571,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.4842,0.4741,0.4753,18,41,7.40,5,6,5,2.6000,33985,8979,0.132271,,,,2.00,0,73,0.0000,0.4625,0.3700,0.4111,0.1805,0.4111,0.2508,0.0000,0.0000,0.0000,0.6400,0.6957,0.6667,0.8333,1.0000,0.9091 gpt-5-mini-medium,doi_10_1038__s41467_019_10533_1,0.7042,0.6066,0.6468,18,23,8.30,7,7,7,1.0000,17662,5142,0.073497,,,,1.00,0,58,0.0000,0.4083,0.4133,0.4108,0.3609,0.4611,0.4049,1.0000,0.6667,0.8000,1.0000,0.7500,0.8571,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_017_16509_9,0.6645,0.6903,0.6770,16,21,8.12,3,3,3,1.0000,12900,6559,0.081715,,,,1.00,0,48,0.0000,0.6812,0.7328,0.7061,0.3865,0.5073,0.4387,0.0000,0.0000,0.0000,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_019_43329_w,0.7707,0.7188,0.7263,44,39,33.50,5,5,5,1.0000,44703,8699,0.142869,,,,2.00,0,103,0.0000,0.6629,0.6119,0.6364,0.8590,0.7614,0.8072,0.9286,0.4194,0.5778,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1155__2019__2157592,0.7018,0.8537,0.7401,18,27,15.00,12,10,10,0.4000,25467,10187,0.133704,,,,2.00,0,79,0.0000,0.6953,0.8241,0.7542,0.5556,0.8333,0.6667,0.2500,1.0000,0.4000,0.8333,0.8333,0.8333,1.0000,0.8333,0.9091 gpt-5-mini-medium,doi_10_3390__coatings9010016,0.4602,0.4715,0.4640,43,34,10.00,3,3,3,2.3333,50222,14663,0.209407,,,,3.00,0,95,0.0000,0.3120,0.3679,0.3377,0.2941,0.2326,0.2597,0.2500,0.2500,0.2500,0.5833,0.5000,0.5385,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e16020870,0.8313,0.8382,0.8347,47,58,33.20,6,6,6,0.0000,15012,6478,0.083545,,,,1.00,0,160,0.0000,0.6626,0.6764,0.6694,0.5724,0.7064,0.6324,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e18050189,0.9432,0.8447,0.8878,10,9,5.57,1,1,1,0.0000,17762,3761,0.059812,,,,1.00,0,22,0.0000,0.8863,0.6894,0.7755,0.6185,0.5567,0.5860,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e18050189,0.9592,0.8572,0.9018,10,9,6.47,1,1,1,0.0000,17762,3761,0.059812,,,,1.00,0,22,0.0000,0.9185,0.7144,0.8036,0.7185,0.6467,0.6807,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21010015,0.8637,0.8591,0.8614,68,77,50.50,6,6,6,0.0000,39841,12713,0.176931,,,,2.00,0,198,0.0000,0.7275,0.7182,0.7228,0.6558,0.7426,0.6966,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e21020114,0.6486,0.6558,0.6521,98,101,45.70,7,7,7,0.0000,65669,16167,0.243756,,,,3.00,0,201,0.0000,0.4171,0.4187,0.4179,0.4525,0.4663,0.4593,0.6000,0.6429,0.6207,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e21020114,0.6619,0.6691,0.6654,98,101,52.70,7,7,7,0.0000,65669,16167,0.243756,,,,3.00,0,201,0.0000,0.4437,0.4454,0.4446,0.5218,0.5378,0.5296,0.6000,0.6429,0.6207,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21020122,0.6232,0.5669,0.5822,31,18,14.00,8,5,5,1.0000,23488,5809,0.087450,,,,2.00,0,55,0.0000,0.6892,0.5862,0.6335,0.7778,0.4516,0.5714,0.0000,0.0000,0.0000,0.6429,0.9000,0.7500,1.0000,0.6250,0.7692 gpt-5-mini-medium,doi_10_3390__e21020169,0.5979,0.6507,0.6223,63,48,19.75,7,7,7,4.2857,135782,36042,0.530147,,,,5.00,0,197,0.0000,0.5295,0.5586,0.5437,0.4115,0.3135,0.3559,0.2857,0.3333,0.3077,0.7013,0.8571,0.7714,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21030288,0.5272,0.5151,0.5209,43,37,9.50,5,5,5,0.0000,269415,40980,0.746569,,,,9.00,0,118,0.0000,0.3543,0.3302,0.3419,0.2568,0.2209,0.2375,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ gpt-5-mini-medium,doi_10_3390__e21050448,0.5864,0.7572,0.6539,20,22,12.00,5,6,5, gpt-5-mini-medium,doi_10_3390__ma12071136,0.6511,0.6986,0.6721,53,56,28.00,5,5,5,1.0000,102143,19966,0.327339,,,,4.00,0,114,0.0000,0.5278,0.6376,0.5775,0.5000,0.5283,0.5138,0.4706,0.4211,0.4444,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__met10111466,0.4954,0.4045,0.4131,39,24,2.00,7,2,2,2.0000,31323,10018,0.139334,,,,2.00,0,48,0.0000,0.4051,0.3232,0.3596,0.0833,0.0513,0.0635,0.0000,0.0000,0.0000,0.7143,1.0000,0.8333,1.0000,0.2857,0.4444 gpt-5-mini-medium,doi_10_3390__met9030351,0.6446,0.7027,0.6710,14,19,7.55,4,4,4,0.0000,62052,15526,0.232825,,,,4.00,0,48,0.0000,0.5892,0.7053,0.6421,0.3974,0.5393,0.4576,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,OVERALL,0.6563,0.6576,0.6564,674,702,334.18,101,93,91,0.9451,1034007,250773,3.800239,0.0,0.0,0.0,2.63,0,1778,0.0000,0.5503,0.5703,0.5601,0.4760,0.4958,0.4857,0.4568,0.4157,0.4353,0.8295,0.8747,0.8515,0.9785,0.9010,0.9381 +gpt-5-mini-medium,OVERALL,0.6591,0.6605,0.6592,674,702,344.98,101,93,91,0.9451,1034007,250773,3.800239,0.0,0.0,0.0,2.63,0,1778,0.0000,0.5559,0.5761,0.5658,0.4914,0.5118,0.5014,0.4568,0.4157,0.4353,0.8295,0.8747,0.8515,0.9785,0.9010,0.9381 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.7431,0.8226,0.7787,12,21,7.33,4,4,4,1.0000,10553,7338,0.027290,,,,1.00,0,35,0.0000,0.6612,0.7202,0.6895,0.3492,0.6111,0.4444,0.7500,0.7500,0.7500,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__ncomms10602,0.6449,0.7789,0.7033,19,23,16.83,1,1,1,2.0000,37676,22420,0.086098,,,,2.00,0,46,0.0000,0.6897,0.9150,0.7865,0.7319,0.8860,0.8016,0.0000,0.0000,0.0000,0.7500,0.8571,0.8000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.7825,0.6104,0.6719,18,24,9.25,5,5,5,0.8000,16693,6973,0.029265,,,,1.00,0,63,0.0000,0.6250,0.5104,0.5619,0.3854,0.5139,0.4405,0.8000,0.2667,0.4000,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 @@ -60,7 +60,7 @@ gemini-3-flash,doi_10_3390__met10111466,0.7145,0.6936,0.6986,39,31,21.00,7,5,5,2 gemini-3-flash,doi_10_3390__met9030351,0.7201,0.7374,0.7131,14,21,8.55,4,4,4,1.5000,28737,12604,0.052180,,,,2.00,0,53,0.0000,0.6651,0.7659,0.7120,0.4071,0.6107,0.4886,0.2500,0.5000,0.3333,1.0000,0.6471,0.7857,1.0000,1.0000,1.0000 gemini-3-flash,OVERALL,0.7742,0.7657,0.7691,674,744,454.90,101,101,99,1.0000,748739,323682,1.345416,0.0,0.0,0.0,2.05,0,1944,0.0000,0.6880,0.7244,0.7057,0.6114,0.6749,0.6416,0.6890,0.6348,0.6608,0.8991,0.8062,0.8501,0.9802,0.9802,0.9802 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9315,0.9315,0.9315,12,16,10.33,4,4,4,0.0000,40674,4437,0.314295,,,,3.00,0,35,0.0000,0.8631,0.8631,0.8631,0.6458,0.8611,0.7381,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.7196,0.7573,0.7375,19,22,14.92,1,1,1,0.0000,20217,2114,0.153935,,,,1.00,0,47,0.0000,0.7392,0.8146,0.7751,0.6780,0.7851,0.7276,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.7566,0.7981,0.7764,19,22,16.92,1,1,1,0.0000,20217,2114,0.153935,,,,1.00,0,47,0.0000,0.8133,0.8963,0.8528,0.7689,0.8904,0.8252,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.9110,0.6052,0.7050,18,13,7.00,5,5,5,0.8000,18951,2016,0.145155,,,,1.00,0,41,0.0000,0.8219,0.5000,0.6218,0.5385,0.3889,0.4516,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9057,0.8337,0.8644,18,18,18.00,7,7,7,2.0000,21221,1544,0.144705,,,,1.00,0,53,0.0000,0.9114,0.8675,0.8889,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.6835,0.7184,0.6995,16,20,7.62,3,3,3,1.3333,15729,2083,0.130720,,,,1.00,0,38,0.0000,0.6216,0.7063,0.6612,0.3808,0.4760,0.4231,0.3333,0.3333,0.3333,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -70,7 +70,7 @@ claude-opus-4-6,doi_10_3390__coatings9010016,0.4423,0.3116,0.3633,43,19,4.00,3,2 claude-opus-4-6,doi_10_3390__e16020870,0.9746,0.9298,0.9511,47,47,43.20,6,6,6,0.0000,18033,3085,0.167290,,,,1.00,0,138,0.0000,0.9491,0.8597,0.9022,0.9191,0.9191,0.9191,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e18050189,0.8210,0.7764,0.7970,10,9,4.90,1,1,1,0.0000,21390,1026,0.132600,,,,1.00,0,25,0.0000,0.6419,0.5528,0.5940,0.5444,0.4900,0.5158,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21010015,0.9731,0.8584,0.9101,68,63,59.50,6,5,5,0.0000,21943,3990,0.209465,,,,1.00,0,181,0.0000,0.9462,0.8487,0.8948,0.9444,0.8750,0.9084,1.0000,0.7273,0.8421,1.0000,1.0000,1.0000,1.0000,0.8333,0.9091 -claude-opus-4-6,doi_10_3390__e21020114,0.7229,0.7619,0.7414,98,98,46.50,7,7,7,0.0000,84366,17181,0.851355,,,,3.00,0,228,0.0000,0.4833,0.5239,0.5027,0.4745,0.4745,0.4745,0.8750,1.0000,0.9333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_3390__e21020114,0.7352,0.7753,0.7542,98,98,53.50,7,7,7,0.0000,84366,17181,0.851355,,,,3.00,0,228,0.0000,0.5079,0.5506,0.5284,0.5459,0.5459,0.5459,0.8750,1.0000,0.9333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21020122,0.6236,0.5554,0.5755,31,15,12.00,8,5,5,1.0000,13658,1416,0.103690,,,,1.00,0,52,0.0000,0.6901,0.5632,0.6203,0.8000,0.3871,0.5217,0.0000,0.0000,0.0000,0.6429,0.9000,0.7500,1.0000,0.6250,0.7692 claude-opus-4-6,doi_10_3390__e21020169,0.8046,0.8129,0.8071,63,61,44.00,7,7,7,1.4286,19913,8291,0.306840,,,,1.00,0,224,0.0000,0.7669,0.7894,0.7780,0.7213,0.6984,0.7097,0.5455,0.6667,0.6000,0.9464,0.8413,0.8908,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21030288,0.5361,0.5593,0.5462,43,49,13.40,5,5,5,0.0000,52906,9436,0.500430,,,,2.00,0,138,0.0000,0.3545,0.3852,0.3692,0.2735,0.3116,0.2913,0.0588,0.1111,0.0769,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -78,9 +78,9 @@ claude-opus-4-6,doi_10_3390__e21050448,0.4372,0.8375,0.5741,20,25,11.20,5,10,5,2 claude-opus-4-6,doi_10_3390__ma12071136,0.8587,0.7334,0.7834,53,50,46.00,5,5,5,4.0000,87896,12094,0.741830,,,,3.00,0,108,0.0000,0.8507,0.7651,0.8057,0.9200,0.8679,0.8932,1.0000,0.8947,0.9444,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.7250,0.5035,0.5871,39,17,8.00,7,3,3,0.6667,17492,2798,0.157410,,,,1.00,0,47,0.0000,0.6000,0.4200,0.4941,0.4706,0.2051,0.2857,0.5000,0.4167,0.4545,1.0000,0.8333,0.9091,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6799,0.6512,0.6392,14,15,8.30,4,3,3,2.0000,32831,4127,0.267330,,,,2.00,0,44,0.0000,0.6099,0.6873,0.6463,0.5533,0.5929,0.5724,0.1667,0.5000,0.2500,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7488,0.7136,0.7301,674,619,403.87,101,96,91,1.0879,596949,94869,5.356470,0.0,0.0,0.0,1.53,0,1782,0.0000,0.6827,0.6677,0.6752,0.6525,0.5992,0.6247,0.6389,0.5169,0.5714,0.8468,0.8352,0.8409,0.9479,0.9010,0.9239 +claude-opus-4-6,OVERALL,0.7511,0.7159,0.7324,674,619,412.87,101,96,91,1.0879,596949,94869,5.356470,0.0,0.0,0.0,1.53,0,1782,0.0000,0.6875,0.6724,0.6799,0.6670,0.6126,0.6386,0.6389,0.5169,0.5714,0.8468,0.8352,0.8409,0.9479,0.9010,0.9239 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.7521,0.8042,0.7764,12,16,10.67,4,4,4,0.0000,9863,8738,0.099709,,,,1.00,0,39,0.0000,0.7292,0.8333,0.7778,0.6667,0.8889,0.7619,0.2500,0.2500,0.2500,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__ncomms10602,0.6103,0.7378,0.6615,19,30,13.00,1,1,1,0.0000,16657,20620,0.227021,,,,1.00,0,63,0.0000,0.5205,0.7755,0.6230,0.4333,0.6842,0.5306,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__ncomms10602,0.6377,0.7786,0.6943,19,30,15.00,1,1,1,0.0000,16657,20620,0.227021,,,,1.00,0,63,0.0000,0.5753,0.8571,0.6885,0.5000,0.7895,0.6122,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.7026,0.7028,0.6847,18,24,10.57,5,6,5,1.6000,15837,17460,0.194396,,,,1.00,0,68,0.0000,0.6585,0.6256,0.6416,0.4403,0.5870,0.5032,0.6667,0.2667,0.3810,0.7419,1.0000,0.8519,0.8333,1.0000,0.9091 gpt-5-2-high,doi_10_1038__s41467_019_10533_1,0.9033,0.7596,0.8054,18,16,16.00,7,7,7,2.0000,17662,6771,0.089788,,,,1.00,0,51,0.0000,0.9067,0.8193,0.8608,1.0000,0.8889,0.9412,1.0000,0.3333,0.5000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_017_16509_9,0.6759,0.7695,0.7154,16,21,12.12,3,3,3,1.3333,12900,15672,0.172845,,,,1.00,0,48,0.0000,0.6064,0.8086,0.6931,0.5770,0.7573,0.6550,0.3333,0.3333,0.3333,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -90,7 +90,7 @@ gpt-5-2-high,doi_10_3390__coatings9010016,0.5835,0.6175,0.5916,43,41,24.00,3,2,2 gpt-5-2-high,doi_10_3390__e16020870,0.9411,0.9804,0.9599,47,47,44.00,6,6,6,0.0000,32707,19916,0.240044,,,,2.00,0,162,0.0000,0.8822,0.9607,0.9198,0.9362,0.9362,0.9362,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e18050189,0.8750,0.8750,0.8750,10,10,6.75,1,1,1,0.0000,17762,11672,0.138923,,,,1.00,0,30,0.0000,0.7500,0.7500,0.7500,0.6750,0.6750,0.6750,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21010015,0.9239,0.9868,0.9532,68,80,65.50,6,6,6,0.0000,18097,19023,0.212851,,,,1.00,0,226,0.0000,0.8478,0.9735,0.9063,0.8187,0.9632,0.8851,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_3390__e21020114,0.6694,0.7279,0.6961,98,106,45.50,7,7,7,0.0000,41320,35264,0.404290,,,,2.00,0,236,0.0000,0.4325,0.5200,0.4723,0.4292,0.4643,0.4461,0.6875,0.7857,0.7333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_3390__e21020114,0.6805,0.7412,0.7083,98,106,52.50,7,7,7,0.0000,41320,35264,0.404290,,,,2.00,0,236,0.0000,0.4548,0.5468,0.4965,0.4953,0.5357,0.5147,0.6875,0.7857,0.7333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020122,0.6071,0.7214,0.6579,31,29,23.90,8,8,8,1.0000,11113,16888,0.182771,,,,1.00,0,82,0.0000,0.6742,0.8427,0.7491,0.8241,0.7710,0.7967,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020169,0.6751,0.6434,0.6458,63,72,39.83,7,7,7,4.4286,16239,24716,0.267459,,,,1.00,0,252,0.0000,0.5931,0.6670,0.6279,0.5532,0.6323,0.5901,0.3043,0.3889,0.3415,0.9143,0.5079,0.6531,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21030288,0.4885,0.5778,0.5254,43,42,9.60,5,6,5,0.0000,42038,31460,0.367148,,,,2.00,0,150,0.0000,0.2769,0.3556,0.3114,0.2286,0.2233,0.2259,0.1667,0.3333,0.2222,1.0000,1.0000,1.0000,0.8333,1.0000,0.9091 @@ -98,7 +98,7 @@ gpt-5-2-high,doi_10_3390__e21050448,0.5353,0.7999,0.6242,20,21,11.50,5,4,4,3.250 gpt-5-2-high,doi_10_3390__ma12071136,0.9040,0.7936,0.8317,53,55,48.00,5,5,5,3.0000,70461,39742,0.485496,,,,3.00,0,113,0.0000,0.8079,0.8188,0.8133,0.8727,0.9057,0.8889,1.0000,0.8947,0.9444,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met10111466,0.6160,0.7482,0.6689,39,45,19.00,7,6,6,1.8333,32169,38970,0.429911,,,,2.00,0,105,0.0000,0.5706,0.7623,0.6526,0.4222,0.4872,0.4524,0.2273,0.4167,0.2941,0.7333,0.8800,0.8000,1.0000,0.8571,0.9231 gpt-5-2-high,doi_10_3390__met9030351,0.6698,0.8591,0.7331,14,17,9.30,4,4,4,0.0000,42536,35710,0.410270,,,,3.00,0,51,0.0000,0.6096,0.8682,0.7162,0.5471,0.6643,0.6000,0.1000,0.5000,0.1667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,OVERALL,0.6808,0.7595,0.7168,674,728,452.98,101,100,98,1.3673,486734,453004,5.138457,0.0,0.0,0.0,1.53,0,2056,0.0000,0.6128,0.7363,0.6689,0.6222,0.6721,0.6462,0.4498,0.5281,0.4858,0.7995,0.8329,0.8159,0.9800,0.9703,0.9751 +gpt-5-2-high,OVERALL,0.6827,0.7618,0.7189,674,728,461.98,101,100,98,1.3673,486734,453004,5.138457,0.0,0.0,0.0,1.53,0,2056,0.0000,0.6167,0.7409,0.6731,0.6346,0.6854,0.6590,0.4498,0.5281,0.4858,0.7995,0.8329,0.8159,0.9800,0.9703,0.9751 gemini-3.1-pro,doi_10_1016__j_proeng_2012_03_043,0.9506,0.9185,0.9340,12,12,10.87,4,4,4,0.0000,10553,6186,0.095338,,,,1.00,0,27,0.0000,0.9013,0.8369,0.8679,0.9056,0.9056,0.9056,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__ncomms10602,0.7500,0.7990,0.7731,19,23,17.00,1,1,1,0.0000,17749,9080,0.144458,,,,1.00,0,47,0.0000,0.8000,0.8980,0.8462,0.7391,0.8947,0.8095,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41467_019_08460_2,0.5433,0.4973,0.5106,18,20,10.80,5,6,5,3.2000,16693,11582,0.172370,,,,1.00,0,52,0.0000,0.5237,0.4233,0.4682,0.5400,0.6000,0.5684,0.5000,0.2667,0.3478,0.4074,0.4783,0.4400,0.8333,1.0000,0.9091 diff --git a/scripts/paper/combined_results/zero_shot_run3.csv b/scripts/paper/combined_results/zero_shot_run3.csv index ff3520f..7a9d836 100644 --- a/scripts/paper/combined_results/zero_shot_run3.csv +++ b/scripts/paper/combined_results/zero_shot_run3.csv @@ -8,7 +8,7 @@ claude-haiku-4-5,doi_10_1038__s41598_019_43329_w,0.3565,0.4214,0.3790,44,75,29.5 claude-haiku-4-5,doi_10_1155__2019__2157592,0.6035,0.8963,0.6914,18,33,15.00,12,10,10,1.2000,13920,3898,0.033410,,,,1.00,0,97,0.0000,0.5759,0.8426,0.6842,0.4545,0.8333,0.5882,0.2143,1.0000,0.3529,0.6667,1.0000,0.8000,1.0000,0.8333,0.9091 claude-haiku-4-5,doi_10_3390__coatings9010016,0.6433,0.5706,0.5942,43,35,10.00,3,3,3,3.0000,63894,9919,0.113489,,,,3.00,0,83,0.0000,0.4466,0.4340,0.4402,0.2857,0.2326,0.2564,1.0000,0.5000,0.6667,0.6000,0.6429,0.6207,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e16020870,0.8531,0.9351,0.8915,47,54,44.20,6,7,6,0.0000,18033,3916,0.037613,,,,1.00,0,159,0.0000,0.7952,0.8702,0.8310,0.8185,0.9404,0.8752,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,0.8571,1.0000,0.9231 -claude-haiku-4-5,doi_10_3390__e18050189,0.9190,0.8725,0.8944,10,10,6.82,1,1,1,0.0000,21390,846,0.025620,,,,1.00,0,26,0.0000,0.8380,0.7449,0.7887,0.6817,0.6817,0.6817,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-haiku-4-5,doi_10_3390__e18050189,0.9503,0.9002,0.9238,10,10,7.82,1,1,1,0.0000,21390,846,0.025620,,,,1.00,0,26,0.0000,0.9005,0.8005,0.8475,0.7817,0.7817,0.7817,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21010015,0.8267,0.9207,0.8629,68,80,60.00,6,6,6,2.0000,21943,5674,0.050313,,,,1.00,0,206,0.0000,0.8135,0.8686,0.8402,0.7500,0.8824,0.8108,1.0000,0.9091,0.9524,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020114,0.6846,0.7060,0.6931,98,99,46.90,7,7,7,0.0000,49751,10354,0.101521,,,,2.00,0,198,0.0000,0.5114,0.4977,0.5044,0.4737,0.4786,0.4761,0.5263,0.7143,0.6061,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__e21020122,0.6224,0.6854,0.6515,31,29,22.00,8,8,8,1.0000,29563,4402,0.051573,,,,2.00,0,77,0.0000,0.7048,0.7708,0.7363,0.7586,0.7097,0.7333,0.0000,0.0000,0.0000,0.6000,0.7500,0.6667,1.0000,1.0000,1.0000 @@ -18,19 +18,19 @@ claude-haiku-4-5,doi_10_3390__e21050448,0.3983,0.6311,0.4672,20,51,8.63,5,10,5,0 claude-haiku-4-5,doi_10_3390__ma12071136,0.6083,0.5460,0.5727,53,39,18.00,5,5,5,1.0000,53613,6770,0.087463,,,,2.00,0,69,0.0000,0.5500,0.4430,0.4907,0.4615,0.3396,0.3913,0.1111,0.0526,0.0714,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 claude-haiku-4-5,doi_10_3390__met10111466,0.7936,0.6964,0.7392,39,32,18.00,7,5,5,0.6000,64385,11470,0.121735,,,,3.00,0,72,0.0000,0.7527,0.6491,0.6970,0.5625,0.4615,0.5070,0.6154,0.6667,0.6400,0.8750,0.8235,0.8485,1.0000,0.7143,0.8333 claude-haiku-4-5,doi_10_3390__met9030351,0.6059,0.7071,0.6302,14,25,8.55,4,4,4,1.7500,97515,10468,0.149855,,,,5.00,0,65,0.0000,0.4952,0.7053,0.5819,0.3420,0.6107,0.4385,0.1667,0.5000,0.2500,0.9167,0.6471,0.7586,1.0000,1.0000,1.0000 -claude-haiku-4-5,OVERALL,0.6154,0.6748,0.6431,674,825,380.18,101,102,95,1.0526,1092084,165256,1.918364,0.0,0.0,0.0,2.42,0,2032,0.0000,0.5156,0.6067,0.5574,0.4608,0.5641,0.5072,0.3665,0.3933,0.3794,0.8149,0.8568,0.8353,0.9314,0.9406,0.9360 +claude-haiku-4-5,OVERALL,0.6158,0.6752,0.6435,674,825,381.18,101,102,95,1.0526,1092084,165256,1.918364,0.0,0.0,0.0,2.42,0,2032,0.0000,0.5163,0.6075,0.5582,0.4620,0.5656,0.5086,0.3665,0.3933,0.3794,0.8149,0.8568,0.8353,0.9314,0.9406,0.9360 gpt-5-mini-medium,doi_10_1016__j_proeng_2012_03_043,0.8694,0.8780,0.8717,12,12,7.33,4,4,4,0.0000,9863,3588,0.048209,,,,1.00,0,35,0.0000,0.7987,0.7560,0.7768,0.6111,0.6111,0.6111,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__ncomms10602,0.5726,0.7228,0.6362,19,25,14.33,1,1,1,4.0000,57070,14034,0.211677,,,,3.00,0,48,0.0000,0.6051,0.8027,0.6901,0.5733,0.7544,0.6515,0.0000,0.0000,0.0000,0.6000,0.8571,0.7059,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.7189,0.8841,0.7863,18,49,12.38,5,5,5,2.6000,56810,15785,0.228862,,,,3.00,0,79,0.0000,0.6251,0.8282,0.7124,0.2527,0.6880,0.3697,0.8571,0.8000,0.8276,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_1038__ncomms10602,0.6027,0.7628,0.6706,19,25,16.25,1,1,1,4.0000,57070,14034,0.211677,,,,3.00,0,48,0.0000,0.6654,0.8827,0.7588,0.6500,0.8553,0.7386,0.0000,0.0000,0.0000,0.6000,0.8571,0.7059,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_1038__s41467_019_08460_2,0.7177,0.8826,0.7850,18,49,14.02,5,5,5,2.6000,56810,15785,0.228862,,,,3.00,0,79,0.0000,0.6227,0.8251,0.7098,0.2861,0.7787,0.4184,0.8571,0.8000,0.8276,0.6389,1.0000,0.7797,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41467_019_10533_1,0.4886,0.5608,0.5211,18,28,7.00,7,7,7,1.0000,59621,11517,0.189696,,,,3.00,0,63,0.0000,0.3571,0.4217,0.3867,0.2500,0.3889,0.3043,0.0000,0.0000,0.0000,0.8000,1.0000,0.8889,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_017_16509_9,0.7059,0.7460,0.7203,16,27,9.12,3,3,3,1.0000,12900,8350,0.099625,,,,1.00,0,44,0.0000,0.6140,0.7442,0.6728,0.3377,0.5698,0.4240,0.5000,0.3333,0.4000,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1038__s41598_019_43329_w,0.7963,0.7170,0.7286,44,39,32.25,5,5,5,1.0000,44523,8721,0.142864,,,,2.00,0,108,0.0000,0.7227,0.6469,0.6827,0.8269,0.7330,0.7771,0.9000,0.2903,0.4390,0.7500,1.0000,0.8571,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_1155__2019__2157592,0.5454,0.5938,0.5565,18,18,9.75,12,8,8,2.0000,25208,9965,0.131160,,,,2.00,0,68,0.0000,0.5907,0.6675,0.6268,0.5417,0.5417,0.5417,0.0000,0.0000,0.0000,0.5000,0.8000,0.6154,1.0000,0.6667,0.8000 gpt-5-mini-medium,doi_10_3390__coatings9010016,0.4399,0.4054,0.4201,43,33,6.00,3,3,3,2.3333,51426,13375,0.198033,,,,3.00,0,85,0.0000,0.2252,0.2358,0.2304,0.1818,0.1395,0.1579,0.3333,0.2500,0.2857,0.6364,0.5000,0.5600,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e16020870,0.8065,0.8382,0.8214,47,56,33.20,6,6,6,0.0000,15012,6009,0.078855,,,,1.00,0,159,0.0000,0.6592,0.6764,0.6677,0.5929,0.7064,0.6447,0.8462,1.0000,0.9167,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e18050189,0.8139,0.8611,0.8268,10,9,5.75,1,1,1,2.0000,36465,7019,0.115771,,,,2.00,0,25,0.0000,0.7879,0.7222,0.7536,0.6389,0.5750,0.6053,1.0000,1.0000,1.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e18050189,0.8442,0.8889,0.8558,10,9,6.75,1,1,1,2.0000,36465,7019,0.115771,,,,2.00,0,25,0.0000,0.8485,0.7778,0.8116,0.7500,0.6750,0.7105,1.0000,1.0000,1.0000,0.6000,1.0000,0.7500,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21010015,0.9710,0.9650,0.9680,68,75,66.50,6,6,6,0.0000,18097,8135,0.103971,,,,1.00,0,197,0.0000,0.9421,0.9301,0.9360,0.8867,0.9779,0.9301,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-mini-medium,doi_10_3390__e21020114,0.6692,0.6520,0.6604,98,105,45.70,7,7,7,0.0000,65461,16897,0.250796,,,,3.00,0,198,0.0000,0.4308,0.4111,0.4207,0.4352,0.4663,0.4502,0.6923,0.6429,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-mini-medium,doi_10_3390__e21020114,0.6832,0.6653,0.6740,98,105,52.70,7,7,7,0.0000,65461,16897,0.250796,,,,3.00,0,198,0.0000,0.4588,0.4378,0.4480,0.5019,0.5378,0.5192,0.6923,0.6429,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21020122,0.6843,0.5548,0.6088,31,20,11.90,8,5,5,0.2000,23621,7076,0.100286,,,,2.00,0,54,0.0000,0.7087,0.5621,0.6269,0.5950,0.3839,0.4667,0.0000,0.0000,0.0000,0.9000,0.9000,0.9000,1.0000,0.6250,0.7692 gpt-5-mini-medium,doi_10_3390__e21020169,0.8137,0.8327,0.8216,63,62,44.00,7,7,7,1.2857,37375,15329,0.200009,,,,2.00,0,230,0.0000,0.7560,0.8059,0.7801,0.7097,0.6984,0.7040,0.6190,0.7222,0.6667,0.9643,0.8571,0.9076,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__e21030288,0.7193,0.6728,0.6945,43,36,15.00,5,5,5,0.0000,95384,19494,0.314170,,,,4.00,0,117,0.0000,0.5887,0.5123,0.5479,0.4167,0.3488,0.3797,0.5000,0.4444,0.4706,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -38,7 +38,7 @@ gpt-5-mini-medium,doi_10_3390__e21050448,0.5888,0.8701,0.6924,20,23,12.65,5,5,5, gpt-5-mini-medium,doi_10_3390__ma12071136,0.7274,0.7382,0.7322,53,50,31.75,5,5,5,1.0000,98163,18554,0.308244,,,,4.00,0,102,0.0000,0.6274,0.6695,0.6477,0.6350,0.5991,0.6165,0.6471,0.5789,0.6111,0.8333,0.8333,0.8333,1.0000,1.0000,1.0000 gpt-5-mini-medium,doi_10_3390__met10111466,0.6412,0.4823,0.5342,39,22,4.00,7,3,3,1.6667,31448,9006,0.129370,,,,2.00,0,57,0.0000,0.6623,0.4595,0.5426,0.1818,0.1026,0.1311,0.0000,0.0000,0.0000,0.8000,0.9412,0.8649,1.0000,0.4286,0.6000 gpt-5-mini-medium,doi_10_3390__met9030351,0.5454,0.5864,0.5576,14,24,6.55,4,3,3,2.0000,84346,18872,0.294152,,,,5.00,0,47,0.0000,0.4708,0.6278,0.5381,0.2729,0.4679,0.3447,0.0000,0.0000,0.0000,0.8000,0.8000,0.8000,1.0000,0.7500,0.8571 -gpt-5-mini-medium,OVERALL,0.7132,0.7166,0.7130,674,713,375.17,101,89,89,1.1236,849266,221613,3.277712,0.0,0.0,0.0,2.42,0,1792,0.0000,0.6267,0.6508,0.6385,0.5262,0.5566,0.5410,0.6053,0.5169,0.5576,0.7952,0.9076,0.8477,1.0000,0.8812,0.9368 +gpt-5-mini-medium,OVERALL,0.7157,0.7193,0.7156,674,713,386.72,101,89,89,1.1236,849266,221613,3.277712,0.0,0.0,0.0,2.42,0,1792,0.0000,0.6318,0.6561,0.6437,0.5424,0.5738,0.5576,0.6053,0.5169,0.5576,0.7952,0.9076,0.8477,1.0000,0.8812,0.9368 gemini-3-flash,doi_10_1016__j_proeng_2012_03_043,0.8861,0.9137,0.8994,12,16,7.33,4,4,4,0.0000,10553,9454,0.033639,,,,1.00,0,35,0.0000,0.7722,0.8274,0.7989,0.4583,0.6111,0.5238,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__ncomms10602,0.5681,0.6990,0.6198,19,29,13.00,1,1,1,1.0000,17749,6716,0.029022,,,,1.00,0,63,0.0000,0.4933,0.7551,0.5968,0.4483,0.6842,0.5417,0.0000,0.0000,0.0000,0.8571,0.8571,0.8571,1.0000,1.0000,1.0000 gemini-3-flash,doi_10_1038__s41467_019_08460_2,0.8148,0.6138,0.6865,18,29,10.07,5,5,5,0.8000,16693,6907,0.029067,,,,1.00,0,53,0.0000,0.6896,0.5172,0.5911,0.3471,0.5593,0.4284,0.8000,0.2667,0.4000,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 @@ -60,8 +60,8 @@ gemini-3-flash,doi_10_3390__met10111466,0.8154,0.7149,0.7414,39,37,23.00,7,6,6,0 gemini-3-flash,doi_10_3390__met9030351,0.6548,0.6553,0.6414,14,19,6.80,4,3,3,1.6667,45421,24604,0.096522,,,,3.00,0,48,0.0000,0.5791,0.6690,0.6208,0.3579,0.4857,0.4121,0.2500,0.5000,0.3333,0.8889,0.6667,0.7619,1.0000,0.7500,0.8571 gemini-3-flash,OVERALL,0.7099,0.7326,0.7197,674,792,428.73,101,107,99,0.8586,1307897,482232,2.100644,0.0,0.0,0.0,3.05,0,2068,0.0000,0.6313,0.7026,0.6651,0.5413,0.6361,0.5849,0.5192,0.4551,0.4850,0.8880,0.8298,0.8579,0.9252,0.9802,0.9519 claude-opus-4-6,doi_10_1016__j_proeng_2012_03_043,0.9315,0.9315,0.9315,12,16,10.33,4,4,4,0.0000,25320,2574,0.190950,,,,2.00,0,35,0.0000,0.8631,0.8631,0.8631,0.6458,0.8611,0.7381,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -claude-opus-4-6,doi_10_1038__ncomms10602,0.4681,0.6349,0.5221,19,26,7.92,1,3,1,0.0000,20217,2986,0.175735,,,,1.00,0,61,0.0000,0.4362,0.5697,0.4941,0.3045,0.4167,0.3519,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 -claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.9389,0.6368,0.7372,18,15,11.83,5,5,5,0.8000,40173,4039,0.301840,,,,2.00,0,45,0.0000,0.8777,0.5632,0.6861,0.7889,0.6574,0.7172,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_1038__ncomms10602,0.4837,0.6553,0.5397,19,26,8.92,1,3,1,0.0000,20217,2986,0.175735,,,,1.00,0,61,0.0000,0.4674,0.6105,0.5295,0.3429,0.4693,0.3963,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,0.3333,1.0000,0.5000 +claude-opus-4-6,doi_10_1038__s41467_019_08460_2,0.9491,0.6434,0.7452,18,15,12.67,5,5,5,0.8000,40173,4039,0.301840,,,,2.00,0,45,0.0000,0.8983,0.5764,0.7022,0.8444,0.7037,0.7677,1.0000,0.2667,0.4211,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41467_019_10533_1,0.9057,0.8337,0.8644,18,18,18.00,7,7,7,2.0000,21221,1544,0.144705,,,,1.00,0,53,0.0000,0.9114,0.8675,0.8889,1.0000,1.0000,1.0000,1.0000,0.6667,0.8000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_017_16509_9,0.7069,0.7574,0.7304,16,20,10.62,3,3,3,1.0000,15729,2094,0.130995,,,,1.00,0,38,0.0000,0.6660,0.7669,0.7129,0.5308,0.6635,0.5898,0.3333,0.3333,0.3333,0.8696,0.8696,0.8696,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_1038__s41598_019_43329_w,0.6544,0.7775,0.7043,44,58,32.50,5,5,5,0.0000,60598,13890,0.650240,,,,2.00,0,171,0.0000,0.4765,0.7098,0.5702,0.5603,0.7386,0.6373,0.4412,0.4839,0.4615,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -70,7 +70,7 @@ claude-opus-4-6,doi_10_3390__coatings9010016,0.4544,0.3864,0.4049,43,17,4.00,3,2 claude-opus-4-6,doi_10_3390__e16020870,0.9746,0.9298,0.9511,47,47,43.20,6,6,6,0.0000,18033,3111,0.167940,,,,1.00,0,138,0.0000,0.9491,0.8597,0.9022,0.9191,0.9191,0.9191,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e18050189,0.9414,0.9292,0.9352,10,10,7.90,1,1,1,0.0000,21390,1084,0.134050,,,,1.00,0,29,0.0000,0.8829,0.8583,0.8704,0.7900,0.7900,0.7900,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21010015,0.9332,0.8828,0.9055,68,75,60.50,6,5,5,0.0000,21943,4822,0.230265,,,,1.00,0,205,0.0000,0.8665,0.8702,0.8683,0.8067,0.8897,0.8462,1.0000,0.8182,0.9000,1.0000,1.0000,1.0000,1.0000,0.8333,0.9091 -claude-opus-4-6,doi_10_3390__e21020114,0.7148,0.6936,0.7039,98,97,46.70,7,7,7,0.0000,49771,10201,0.503880,,,,2.00,0,196,0.0000,0.4526,0.4302,0.4411,0.4814,0.4765,0.4790,0.9231,0.8571,0.8889,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +claude-opus-4-6,doi_10_3390__e21020114,0.7288,0.7070,0.7176,98,97,53.70,7,7,7,0.0000,49771,10201,0.503880,,,,2.00,0,196,0.0000,0.4807,0.4569,0.4685,0.5536,0.5480,0.5508,0.9231,0.8571,0.8889,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21020122,0.6112,0.5490,0.5666,31,15,10.90,8,5,5,1.0000,13658,1507,0.105965,,,,1.00,0,53,0.0000,0.6653,0.5506,0.6025,0.7267,0.3516,0.4739,0.0000,0.0000,0.0000,0.6429,0.9000,0.7500,1.0000,0.6250,0.7692 claude-opus-4-6,doi_10_3390__e21020169,0.8082,0.6908,0.7354,63,58,42.00,7,7,7,4.2857,19913,6895,0.271940,,,,1.00,0,206,0.0000,0.7678,0.6722,0.7168,0.7241,0.6667,0.6942,0.5714,0.6667,0.6154,0.9429,0.5238,0.6735,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__e21030288,0.6817,0.6556,0.6680,43,36,14.40,5,5,5,0.0000,52182,7980,0.460410,,,,2.00,0,120,0.0000,0.5301,0.4778,0.5026,0.4000,0.3349,0.3646,0.4444,0.4444,0.4444,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -78,9 +78,9 @@ claude-opus-4-6,doi_10_3390__e21050448,0.5750,0.8743,0.6774,20,27,13.50,5,10,5,0 claude-opus-4-6,doi_10_3390__ma12071136,0.8392,0.7234,0.7690,53,50,45.00,5,5,5,4.0000,87934,12123,0.742745,,,,3.00,0,108,0.0000,0.8284,0.7450,0.7845,0.9000,0.8491,0.8738,0.9444,0.8947,0.9189,0.6667,0.3333,0.4444,1.0000,1.0000,1.0000 claude-opus-4-6,doi_10_3390__met10111466,0.6422,0.5696,0.5825,39,21,13.00,7,3,3,2.6667,17492,3087,0.164635,,,,1.00,0,61,0.0000,0.5745,0.5143,0.5427,0.6190,0.3333,0.4333,0.5000,0.4167,0.4545,0.6500,0.9286,0.7647,1.0000,0.4286,0.6000 claude-opus-4-6,doi_10_3390__met9030351,0.6716,0.6512,0.6345,14,17,8.30,4,3,3,2.0000,52058,6124,0.413390,,,,3.00,0,43,0.0000,0.5932,0.6873,0.6368,0.4882,0.5929,0.5355,0.1667,0.5000,0.2500,1.0000,0.6000,0.7500,1.0000,0.7500,0.8571 -claude-opus-4-6,OVERALL,0.7519,0.7188,0.7347,674,639,416.60,101,97,90,1.0889,601004,94502,5.367570,0.0,0.0,0.0,1.53,0,1804,0.0000,0.6770,0.6684,0.6727,0.6520,0.6181,0.6346,0.6433,0.6180,0.6304,0.8889,0.7912,0.8372,0.9278,0.8911,0.9091 +claude-opus-4-6,OVERALL,0.7542,0.7210,0.7369,674,639,425.43,101,97,90,1.0889,601004,94502,5.367570,0.0,0.0,0.0,1.53,0,1804,0.0000,0.6815,0.6729,0.6772,0.6658,0.6312,0.6480,0.6433,0.6180,0.6304,0.8889,0.7912,0.8372,0.9278,0.8911,0.9091 gpt-5-2-high,doi_10_1016__j_proeng_2012_03_043,0.8026,0.9315,0.8528,12,16,10.33,4,4,4,0.0000,9863,7642,0.088749,,,,1.00,0,39,0.0000,0.7552,0.8631,0.8056,0.6458,0.8611,0.7381,0.5000,1.0000,0.6667,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_1038__ncomms10602,0.6254,0.7378,0.6720,19,27,13.00,1,1,1,0.0000,16657,16808,0.188901,,,,1.00,0,57,0.0000,0.5507,0.7755,0.6441,0.4815,0.6842,0.5652,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_1038__ncomms10602,0.6543,0.7786,0.7059,19,27,15.00,1,1,1,0.0000,16657,16808,0.188901,,,,1.00,0,57,0.0000,0.6087,0.8571,0.7119,0.5556,0.7895,0.6522,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_08460_2,0.8375,0.6136,0.6981,18,16,9.00,5,5,5,0.8000,15837,13998,0.159776,,,,1.00,0,44,0.0000,0.7750,0.5167,0.6200,0.5625,0.5000,0.5294,0.6667,0.2667,0.3810,1.0000,0.8261,0.9048,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41467_019_10533_1,0.8292,0.7967,0.8092,18,18,16.00,7,7,7,2.0000,17662,7995,0.102027,,,,1.00,0,53,0.0000,0.8333,0.8434,0.8383,0.8889,0.8889,0.8889,0.7500,0.5000,0.6000,0.7500,0.7500,0.7500,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_1038__s41598_017_16509_9,0.6795,0.7695,0.7185,16,21,12.12,3,3,3,1.3333,12900,16680,0.182925,,,,1.00,0,48,0.0000,0.6278,0.8086,0.7068,0.5770,0.7573,0.6550,0.2857,0.3333,0.3077,0.8636,0.8261,0.8444,1.0000,1.0000,1.0000 @@ -90,7 +90,7 @@ gpt-5-2-high,doi_10_3390__coatings9010016,0.2358,0.2450,0.2255,43,28,0.00,3,5,3, gpt-5-2-high,doi_10_3390__e16020870,0.8243,0.9620,0.8829,47,47,42.00,6,6,6,1.6667,15012,16242,0.181185,,,,1.00,0,167,0.0000,0.7915,0.9241,0.8527,0.8936,0.8936,0.8936,1.0000,1.0000,1.0000,0.6429,1.0000,0.7826,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e18050189,0.9700,0.9569,0.9634,10,10,8.65,1,1,1,0.0000,17762,9323,0.115432,,,,1.00,0,29,0.0000,0.9400,0.9139,0.9268,0.8650,0.8650,0.8650,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21010015,0.9223,0.9868,0.9523,68,80,65.50,6,6,6,0.0000,18097,18919,0.211811,,,,1.00,0,226,0.0000,0.8447,0.9735,0.9045,0.8187,0.9632,0.8851,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 -gpt-5-2-high,doi_10_3390__e21020114,0.6715,0.7279,0.6974,98,113,45.50,7,7,7,0.0000,18365,23119,0.254146,,,,1.00,0,243,0.0000,0.4367,0.5200,0.4747,0.4027,0.4643,0.4313,0.6875,0.7857,0.7333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 +gpt-5-2-high,doi_10_3390__e21020114,0.6827,0.7412,0.7096,98,113,52.50,7,7,7,0.0000,18365,23119,0.254146,,,,1.00,0,243,0.0000,0.4591,0.5468,0.4991,0.4646,0.5357,0.4976,0.6875,0.7857,0.7333,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21020122,0.5778,0.6745,0.6223,31,30,19.90,8,9,8,1.0000,11113,15791,0.171801,,,,1.00,0,87,0.0000,0.6363,0.7490,0.6880,0.6633,0.6419,0.6525,0.0000,0.0000,0.0000,0.6316,0.7500,0.6857,0.8889,1.0000,0.9412 gpt-5-2-high,doi_10_3390__e21020169,0.7623,0.8614,0.8066,63,72,46.83,7,7,7,0.2857,16239,32462,0.344919,,,,1.00,0,252,0.0000,0.6808,0.8355,0.7503,0.6505,0.7434,0.6938,0.5217,0.6667,0.5854,0.9683,0.9683,0.9683,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__e21030288,0.5847,0.6574,0.6116,43,39,15.00,5,5,5,0.0000,41976,31719,0.369660,,,,2.00,0,130,0.0000,0.4149,0.4815,0.4457,0.3846,0.3488,0.3659,0.1818,0.4444,0.2581,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 @@ -98,7 +98,7 @@ gpt-5-2-high,doi_10_3390__e21050448,0.5503,0.8292,0.6535,20,21,12.73,5,5,5,3.000 gpt-5-2-high,doi_10_3390__ma12071136,0.6624,0.6017,0.6136,53,67,31.00,5,5,5,3.0000,44711,34598,0.401869,,,,2.00,0,125,0.0000,0.4914,0.5772,0.5309,0.4627,0.5849,0.5167,0.4444,0.4211,0.4324,1.0000,0.5000,0.6667,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met10111466,0.5905,0.8318,0.6812,39,46,18.00,7,7,7,2.1429,14496,25732,0.275440,,,,1.00,0,117,0.0000,0.5344,0.8080,0.6433,0.3913,0.4615,0.4235,0.2667,0.6667,0.3810,0.6667,0.8889,0.7619,1.0000,1.0000,1.0000 gpt-5-2-high,doi_10_3390__met9030351,0.6868,0.7127,0.6759,14,16,9.30,4,4,4,1.5000,98604,86987,0.993125,,,,6.00,0,46,0.0000,0.6307,0.7167,0.6709,0.5813,0.6643,0.6200,0.1429,0.5000,0.2222,1.0000,0.6471,0.7857,1.0000,1.0000,1.0000 -gpt-5-2-high,OVERALL,0.6856,0.7680,0.7233,674,723,418.12,101,104,101,1.0495,455609,459474,5.164251,0.0,0.0,0.0,1.47,0,2053,0.0000,0.6041,0.7176,0.6560,0.5783,0.6204,0.5986,0.4622,0.5843,0.5161,0.8429,0.8579,0.8503,0.9712,1.0000,0.9854 +gpt-5-2-high,OVERALL,0.6876,0.7703,0.7254,674,723,427.12,101,104,101,1.0495,455609,459474,5.164251,0.0,0.0,0.0,1.47,0,2053,0.0000,0.6079,0.7222,0.6601,0.5908,0.6337,0.6115,0.4622,0.5843,0.5161,0.8429,0.8579,0.8503,0.9712,1.0000,0.9854 gemini-3.1-pro,doi_10_1016__j_proeng_2012_03_043,0.9454,0.8738,0.9065,12,12,10.87,4,4,4,0.0000,10553,3905,0.067966,,,,1.00,0,27,0.0000,0.8908,0.7476,0.8129,0.9056,0.9056,0.9056,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__ncomms10602,0.7607,0.8194,0.7881,19,22,17.00,1,1,1,0.0000,17749,8588,0.138554,,,,1.00,0,47,0.0000,0.8214,0.9388,0.8762,0.7727,0.8947,0.8293,0.0000,0.0000,0.0000,1.0000,1.0000,1.0000,1.0000,1.0000,1.0000 gemini-3.1-pro,doi_10_1038__s41467_019_08460_2,0.5513,0.5015,0.5164,18,18,10.80,5,6,5,3.2000,16693,9247,0.144350,,,,1.00,0,50,0.0000,0.5396,0.4317,0.4796,0.6000,0.6000,0.6000,0.5000,0.2667,0.3478,0.4074,0.4783,0.4400,0.8333,1.0000,0.9091 diff --git a/scripts/paper/combined_results/zero_shot_summary_with_ci.csv b/scripts/paper/combined_results/zero_shot_summary_with_ci.csv index 2116094..e36c866 100644 --- a/scripts/paper/combined_results/zero_shot_summary_with_ci.csv +++ b/scripts/paper/combined_results/zero_shot_summary_with_ci.csv @@ -1,11 +1,11 @@ method overall_precision overall_recall overall_f1 meas_f1 process_f1 material_f1 config_f1 avg_attempts cost_usd KnowMat2 0.5231 0.4286 0.4320 +/- 0.2916 0.2758 0.6592 0.6589 0.1876 1.00 0 -Claude Haiku 4.5 0.6395 0.6837 0.6488 +/- 0.0133 0.5000 0.8426 0.9380 0.3840 2.21 1.7177 -GPT 5 Mini Medium 0.6674 0.6988 0.6731 +/- 0.0422 0.5081 0.8422 0.9422 0.4051 2.49 3.46597 -Gemini 3 Flash 0.7399 0.7555 0.7371 +/- 0.0495 0.6075 0.8560 0.9692 0.5166 2.58 1.73078 -Claude Opus 4.6 0.7444 0.7247 0.7208 +/- 0.0398 0.6108 0.8611 0.9081 0.5388 1.53 5.37406 -GPT 5.2 High 0.7047 0.7707 0.7244 +/- 0.0215 0.6393 0.8541 0.9695 0.4881 1.46 4.99104 -Gemini 3.1 Pro 0.7920 0.7681 0.7701 +/- 0.0306 0.7044 0.8343 0.9642 0.5969 1.51 4.17163 -Claude Code (Opus 4.6) 0.8049 0.7734 0.7754 +/- 0.0035 0.7028 0.8763 0.9434 0.5550 1.26 26.1145 -Codex (GPT 5.2 Codex High) 0.7551 0.7224 0.7246 +/- 0.0089 0.6640 0.8234 0.9508 0.5189 1.49 4.17361 -Gemini CLI (Gemini-3.1 Pro Preview) 0.8014 0.8074 0.7951 +/- 0.0375 0.7377 0.8354 0.9777 0.6834 2.47 6.45507 +Claude Haiku 4.5 0.6417 0.6862 0.6510 +/- 0.0130 0.5089 0.8426 0.9380 0.3840 2.21 1.7177 +GPT 5 Mini Medium 0.6706 0.7023 0.6764 +/- 0.0434 0.5222 0.8422 0.9422 0.4051 2.49 3.46597 +Gemini 3 Flash 0.7404 0.7560 0.7376 +/- 0.0489 0.6092 0.8560 0.9692 0.5166 2.58 1.73078 +Claude Opus 4.6 0.7466 0.7270 0.7231 +/- 0.0401 0.6196 0.8611 0.9081 0.5388 1.53 5.37406 +GPT 5.2 High 0.7072 0.7739 0.7273 +/- 0.0198 0.6479 0.8541 0.9695 0.4881 1.46 4.99104 +Gemini 3.1 Pro 0.7927 0.7688 0.7708 +/- 0.0327 0.7062 0.8343 0.9642 0.5969 1.51 4.17163 +Claude Code (Opus 4.6) 0.8060 0.7746 0.7766 +/- 0.0070 0.7071 0.8763 0.9434 0.5550 1.26 26.1145 +Codex (GPT 5.2 Codex High) 0.7573 0.7246 0.7268 +/- 0.0085 0.6708 0.8234 0.9508 0.5189 1.49 4.17361 +Gemini CLI (Gemini-3.1 Pro Preview) 0.8021 0.8082 0.7958 +/- 0.0350 0.7395 0.8354 0.9777 0.6834 2.47 6.45507 From 1fd34ac698cd8e91abe153cc66d64d0bdae0ba3c Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Fri, 10 Apr 2026 10:49:51 -0400 Subject: [PATCH 21/22] new table values --- docs/index.rst | 54 +++++++++++++++++++++++++------------------------- 1 file changed, 27 insertions(+), 27 deletions(-) diff --git a/docs/index.rst b/docs/index.rst index 7ed8236..6655b32 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -62,10 +62,10 @@ LitXBench Claude Code (Opus 4.6) - 0.80 + 0.81 0.77 - 0.78 ± 0.00 - 0.70 + 0.78 ± 0.01 + 0.71 0.88 0.94 0.56 @@ -79,7 +79,7 @@ LitXBench 0.79 0.77 0.77 ± 0.03 - 0.70 + 0.71 0.83 0.96 0.60 @@ -102,26 +102,12 @@ LitXBench code run paper pr 0.1.1 - - Claude Opus 4.6 - 0.74 - 0.72 - 0.72 ± 0.04 - 0.61 - 0.86 - 0.91 - 0.54 - 1.53 - 5.37 - code run paper pr - 0.1.1 - GPT-5.2 High - 0.70 + 0.71 0.77 - 0.72 ± 0.02 - 0.64 + 0.73 ± 0.02 + 0.65 0.85 0.97 0.49 @@ -134,8 +120,8 @@ LitXBench Codex (GPT-5.2 Codex High) 0.76 0.72 - 0.72 ± 0.01 - 0.66 + 0.73 ± 0.01 + 0.67 0.82 0.95 0.52 @@ -144,12 +130,26 @@ LitXBench code run paper pr 0.1.1 + + Claude Opus 4.6 + 0.75 + 0.73 + 0.72 ± 0.04 + 0.62 + 0.86 + 0.91 + 0.54 + 1.53 + 5.37 + code run paper pr + 0.1.1 + GPT-5 Mini Medium 0.67 0.70 - 0.67 ± 0.04 - 0.51 + 0.68 ± 0.04 + 0.52 0.84 0.94 0.41 @@ -161,9 +161,9 @@ LitXBench Claude Haiku 4.5 0.64 - 0.68 + 0.69 0.65 ± 0.01 - 0.50 + 0.51 0.84 0.94 0.38 From b42aa69e95cb17e17cd8b347e9be81e974afa9bb Mon Sep 17 00:00:00 2001 From: Curtis Chong Date: Fri, 10 Apr 2026 11:02:08 -0400 Subject: [PATCH 22/22] add comment pointing to PR 5 for reference --- docs/about/contributing.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/about/contributing.rst b/docs/about/contributing.rst index 388c142..21b175e 100644 --- a/docs/about/contributing.rst +++ b/docs/about/contributing.rst @@ -4,7 +4,7 @@ Contributing to the Leaderboard We welcome community contributions to the :doc:`/leaderboard`. To add your method: 1. Run your extraction method on the LitXAlloy benchmark dataset by calling ``compare_experiments`` and ``compute_multi_level_metrics``. An example is in the `usage script `_. -2. Open a `pull request `_ that adds your results as a new row to the leaderboard table in `docs/index.rst `_. +2. Open a `pull request `_ that adds your results as a new row to the leaderboard table in `docs/index.rst `_. See `this example PR `_ for reference. When updating `docs/index.rst `_, please include: