NucTransportDB

A simulation-ready database for radionuclide transport simulations, providing emitted energy data for a selected set of nuclides, sorption coefficient cross rock types, and chemical-species data.

Installation

To install nuctransportdb from GitHub repository, do:

git clone git@github.com:mbd-rwth/nuctransportdb.git
cd nuctransportdb
python -m pip install .

Exporting Nuclide Data

Use export_data.py to extract nuclide data for a specific candidate site and defined model setup. The script reads a YAML configuration file that specifies which nuclides to extract.

Configuration file format

Field	Description
nuclide_to_consider	List of nuclides to extract (e.g., I-129).

Users have to define an input path for a site YAML file. A site YAML file has the following structure:

name: name for the candidate site
description: a short description on the site
Rock_Unit_1: 
  source:  References describing the lithofacies of Rock Unit 1
  simplified_lithology: A list of strings containing different rock types, e.g., [Sandstone, Conglomerate] 
Rock_Unit_2:
  source: similar to Rock_Unit_1
  simplified_lithology: similar to Rock_Unit_1
...

In addition, users must provide output paths for different data types.

Path	Description
path_to_save_sorption_data	Output directory for sorption coefficient data.
path_to_save_nuclide_species_data	Output directory for nuclide species data.
path_to_save_nuclide_emitted_energy_data	Output directory for emitted energy data.

Usage:

python nuctransportdb.export_data --config path/to/nuclide_config.yaml \
    --path_to_site_yaml_file path/to/site/yaml/file \
    --path_to_save_sorption_data output/path/to/sorption_data \
    --path_to_save_nuclide_species_data output/path/to/nuclide_species_data \
    --path_to_save_nuclide_emitted_energy_data output/path/to/emitted_energy_data \

Example:

nuclide_to_consider:
  - Cm-247
  - U-235

Running the script

python -m nuctransportdb.export_data --config  \
    --path_to_site_yaml_file input/DE_South_Claystone_Germany/site_data/DE_South_Claystone.yaml \
    --path_to_save_sorption_data output/DE_South_Claystone_Germany/sorption_data \
    --path_to_save_nuclide_species_data output/DE_South_Claystone_Germany/nuclide_data \
    --path_to_save_nuclide_emitted_energy_data output/DE_South_Claystone_Germany/emitted_energy_data \

Documentation

see our readthedocs

Contributing

If you want to contribute to the development of nuctransportdb, have a look at the contribution guidelines.

Credits

The code in src/ is developed based on and heavily relies on source code from mbd-rwth/smart_data_hub. The authors of this project is @CQ-QianChen.