diff --git a/examples/forward_problems/mechanics/hyperelasticity/example_incompressible_2d.py b/examples/forward_problems/mechanics/hyperelasticity/example_incompressible_2d.py index b36f8b0..80b308d 100644 --- a/examples/forward_problems/mechanics/hyperelasticity/example_incompressible_2d.py +++ b/examples/forward_problems/mechanics/hyperelasticity/example_incompressible_2d.py @@ -31,21 +31,18 @@ ) physics = SolidMechanics(model, PlaneStrain()) # physics = SolidMechanics(model, PlaneStress()) -ics = [ -] + dirichlet_bcs = [ DirichletBC('nset_1', 0), DirichletBC('nset_1', 1), DirichletBC('nset_3', 0), DirichletBC('nset_3', 1), ] -neumann_bcs = [ -] ################## # problem setup ################## -problem = ForwardProblem(domain, physics, ics, dirichlet_bcs, neumann_bcs) +problem = ForwardProblem(domain, physics, dirichlet_bcs=dirichlet_bcs) ################## # ML setup diff --git a/examples/inverse_problems/mechanics/model_free/data/2holes.g b/examples/inverse_problems/mechanics/model_free/data/2holes.g new file mode 100644 index 0000000..7bcb113 Binary files /dev/null and b/examples/inverse_problems/mechanics/model_free/data/2holes.g differ diff --git a/examples/inverse_problems/mechanics/model_free/data/adagio.inp b/examples/inverse_problems/mechanics/model_free/data/adagio.inp new file mode 100755 index 0000000..6def924 --- /dev/null +++ b/examples/inverse_problems/mechanics/model_free/data/adagio.inp @@ -0,0 +1,230 @@ +begin sierra IsothermalCompression15pcf + + title Compression under isothermal conditions + + begin feti equation solver feti + end + + begin gdsw equation solver gdsw + end + + #initial_height = {initial_height = 1} # m + #initial_area = {initial_area = 1} # m^2 + + #load_time = {load_time = 1.0} + #relax_time = {relax_time = 1.0} + #end_time = {end_time = load_time + relax_time} + + begin definition for function applied_disp_fun + type is piecewise linear + begin values + 0.0 0.0 + {load_time} 1.0 + {load_time + relax_time} 1.0 + end + end + + ###################################################################### + ### ### + ### Geometry, Section, and Mesh Definitions ### + ### ### + ###################################################################### + + ### -------------------------------------------------- + ### Directions + ### -------------------------------------------------- + + define direction x with vector 1.0 0.0 0.0 + define direction y with vector 0.0 1.0 0.0 + define direction z with vector 0.0 0.0 1.0 + + ### -------------------------------------------------- + ### Material Model Definitions + ### -------------------------------------------------- + + begin property specification for material foam + density = 240.0 + + begin parameters for model gandalf + hyper viscoelastic formulation = ISV + strain energy density = neohookean + damage model = none + shift factor model = none + neq model = none + #neq model = quadraticmandel + #viscous shear rate model = linear + + bulk modulus = 10 + shear modulus = 0.855 + + num prony terms = 0 + #f2 1 = 1 + #relax time 1 = 0.25 + end + end + + ### -------------------------------------------------- + ### Element Block Definitions + ### -------------------------------------------------- + + begin solid section solid_1 + formulation = fully_integrated + end + + begin total lagrange section solid_2 + end + + begin solid section solid_3 + end + + begin finite element model mesh1 + database name = 2holes.g + Database Type = exodusII + + begin parameters for block block_1 + material foam + model = gandalf + section = solid_1 + end + end + + ###################################################################### + ### ### + ### ADAGIO Procedure ### + ### ### + ###################################################################### + + begin adagio procedure adagio_procedure + + ### -------------------------------------------------- + ### Time Step Definition + ### -------------------------------------------------- + + begin time control + + begin time stepping block pload + start time = 0.0 + begin parameters for adagio region adagio_region + number of time steps = 11 + end + end + + begin time stepping block prelax + start time = {load_time} + begin parameters for adagio region adagio_region + number of time steps = 11 + end + end + + termination time = {load_time} + end + + ###################################################################### + ### ### + ### ADAGIO Region ### + ### ### + ###################################################################### + + begin adagio region adagio_region + use finite element model mesh1 + logfile precision = 7 + + ### -------------------------------------------------- + ### Output Commands + ### -------------------------------------------------- + + ###################################################################### + ### ### + ### Output Commands ### + ### ### + ###################################################################### + + + #User Output + # The reaction force will be postive in compression for nset_y0 + # Field Output + begin Results Output output_adagio_region + Database Name = %B.e + Database Type = exodusII + at step 0, increment = 1 + nodal Variables = displacement as displ + nodal Variables = reaction as reaction_forces + node variables = force_internal as internal_force + element Variables = stress as stress + element variables = shift_factor as shift_factor + element variables = fv_1 as Fv_1 + element variables = temperature as temperature + element variables = first_pk_stress + end + + + # Heartbeat Output + begin heartbeat ouput DATAHB + stream name = %B.hb + append = off + precision = 10 + legend = on + format=CSV #default + labels=off + timestamp format="" + at time 0, increment = 1.0E-6 + global time as time + global timestep as timestep + end + + ### -------------------------------------------------- + ### Boundary Conditions + ### -------------------------------------------------- + + begin initial temperature + block = block_1 + magnitude = 75.0 + end + + # Platen Condition Only During Loading + begin prescribed displacement + node set = nodelist_5 + direction = y + function = applied_disp_fun + #scale factor = -1.0 + end + + # 3 Symmetry Conditions + begin fixed displacement + node set = nodelist_3 + components = x y z + end + + begin fixed displacement + node set = nodelist_5 + components = x z + end + + + ### -------------------------------------------------- + ### Solver definition + ### -------------------------------------------------- + + begin solver + begin cg + reference = belytschko + target relative residual = 1.0e-6 + target residual = 1.0e-6 + acceptable relative residual = 1.0E-4 + acceptable residual = 1.0E-5 + Maximum Iterations = 5000 + #Line Search secant + iteration print = 25 + + begin full tangent preconditioner + linear solver = gdsw + #tangent diagonal scale = 1e-6 + #iteration update = 50 + maximum updates for modelproblem = 5 + small number of iterations = 50 + end + end + end + end + end +end diff --git a/examples/inverse_problems/mechanics/model_free/data/full_field_data.csv b/examples/inverse_problems/mechanics/model_free/data/full_field_data.csv new file mode 100644 index 0000000..c405dd6 --- /dev/null +++ b/examples/inverse_problems/mechanics/model_free/data/full_field_data.csv @@ -0,0 +1,5965 @@ +t,x,y,z,displ_x,displ_y,displ_z +0.0,0.5,0.675,0.1,0.0,0.0,0.0 +0.0,0.5095682721236828,0.6339639718181032,0.1,0.0,0.0,0.0 +0.0,0.5274593245483749,0.595814034943775,0.1,0.0,0.0,0.0 +0.0,0.5528912324323223,0.5622175246821317,0.1,0.0,0.0,0.0 +0.0,0.5847524993651632,0.5346427697455498,0.1,0.0,0.0,0.0 +0.0,0.6216506350946108,0.5142949192431123,0.1,0.0,0.0,0.0 +0.0,0.6619730140323892,0.5020632718815956,0.1,0.0,0.0,0.0 +0.0,0.703957354730676,0.49848240934465404,0.1,0.0,0.0,0.0 +0.0,0.7457687400377373,0.5037088325080367,0.1,0.0,0.0,0.0 +0.0,0.7855798117823681,0.5175141216003429,0.1,0.0,0.0,0.0 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-i adagio.inp +module unload sierra/daily + +# source ../../../../../venv/bin/activate +python ../../../../../scripts/extract_global_mechanics_data.py \ + --csv-file global_data.csv \ + --displacement-variable displ_y \ + --exodus-file adagio.e \ + --force-variable internal_force_y \ + --nodeset nodelist_5 +python ../../../../../scripts/extract_full_field_mechanics_data.py \ + --csv-file full_field_data.csv \ + --exodus-file adagio.e \ + --nodal-variables displ_x,displ_y,displ_z \ + --nodeset nodelist_1 \ No newline at end of file diff --git a/examples/inverse_problems/mechanics/model_free/data/global_data.csv b/examples/inverse_problems/mechanics/model_free/data/global_data.csv new file mode 100644 index 0000000..40216e7 --- /dev/null +++ b/examples/inverse_problems/mechanics/model_free/data/global_data.csv @@ -0,0 +1,13 @@ +times,disps,forces +0.0,0.0,0.0 +0.09090909090909091,0.09090909090909095,0.012961997847531409 +0.18181818181818182,0.1818181818181819,0.024461285298271372 +0.2727272727272727,0.27272727272727265,0.03467760252394235 +0.36363636363636365,0.3636363636363638,0.04385935429834204 +0.4545454545454546,0.4545454545454547,0.05221920348574 +0.5454545454545454,0.5454545454545456,0.059922124483519815 +0.6363636363636364,0.6363636363636364,0.0670918786521514 +0.7272727272727273,0.7272727272727276,0.07382109690214284 +0.8181818181818182,0.818181818181818,0.08018079932445621 +0.9090909090909092,0.9090909090909094,0.08622585370441871 +1.0,1.0,0.0919987049159765 diff --git a/examples/inverse_problems/mechanics/model_free/mesh/mesh.g b/examples/inverse_problems/mechanics/model_free/mesh/mesh.g new file mode 100644 index 0000000..8bbd36f Binary files /dev/null and b/examples/inverse_problems/mechanics/model_free/mesh/mesh.g differ diff --git a/examples/inverse_problems/mechanics/path-dependent/script_3d_2holes.py b/examples/inverse_problems/mechanics/path-dependent/script_3d_2holes.py index ce88b58..d01b9dd 100644 --- a/examples/inverse_problems/mechanics/path-dependent/script_3d_2holes.py +++ b/examples/inverse_problems/mechanics/path-dependent/script_3d_2holes.py @@ -86,7 +86,7 @@ def dirichlet_bc_func(xs, t, nn): return u_out # model = NeoHookean(bulk_modulus=10., shear_modulus=0.855) -physics = physics.update_dirichlet_bc_func(dirichlet_bc_func) +# physics = physics.update_dirichlet_bc_func(dirichlet_bc_func) dirichlet_bcs = [ DirichletBC('nodeset_3', 0), DirichletBC('nodeset_3', 1), @@ -108,9 +108,15 @@ def dirichlet_bc_func(xs, t, nn): ################## # ML setup ################## -params = Parameters(problem, key, seperate_networks=False, network_type=MLP) -physics_and_global_loss = PathDependentEnergyResidualAndReactionLoss( +params = Parameters( + problem, key, + dirichlet_bc_func=dirichlet_bc_func, + network_type=MLP, + seperate_networks=False +) +physics_and_global_loss = EnergyResidualAndReactionLoss( energy_weight=0., + is_path_dependent=True, # residual_weight=250.e9, reaction_weight=250.e9 residual_weight=250., reaction_weight=250. ) diff --git a/pancax/constitutive_models/mechanics/hyperviscoelasticity/simple_fefv.py b/pancax/constitutive_models/mechanics/hyperviscoelasticity/simple_fefv.py index 1560de8..54e7781 100644 --- a/pancax/constitutive_models/mechanics/hyperviscoelasticity/simple_fefv.py +++ b/pancax/constitutive_models/mechanics/hyperviscoelasticity/simple_fefv.py @@ -76,7 +76,8 @@ def equilibirum_branch(self, grad_u, theta): return self.eq_model.energy(grad_u, theta, Z, dt)[0] def initial_state(self): - Fvs = vmap(lambda _: jnp.eye(3))(range(self.num_prony_terms())) + # Fvs = vmap(lambda _: jnp.eye(3))(range(self.num_prony_terms())) + Fvs = vmap(lambda _: jnp.eye(3))(jnp.arange(self.num_prony_terms())) return Fvs.ravel() def neq_strain_energy(self, Ee, G): diff --git a/pyproject.toml b/pyproject.toml index 41f0d5e..1a53e41 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -16,13 +16,13 @@ dependencies = [ [project.optional-dependencies] cpu = [ 'equinox~=0.13', - 'jax~=0.6.2', + 'jax~=0.8.1', 'jaxtyping', 'optax' ] cuda = [ 'equinox~=0.13', - 'jax[cuda12]~=0.6.2', + 'jax[cuda12]~=0.8.1', 'jaxtyping', 'optax' ] @@ -38,7 +38,6 @@ dev = [ 'sphinxcontrib-napoleon' ] rocm = [ - 'chex', 'equinox~=0.13', 'jax[rocm]~=0.5', 'jaxtyping',