This repository contains scripts for V&V of the kinetic surface model implemented in FESTIM.
📃 Find the associated pre-print here.
The repository includes several validation cases and one verification test on the MMS basis.
[1] H absorption in Ti: The case reproduces simulation results of Y. Shimohata et al. on the H absorption in Ti. The simulations are based on experiments performed by Y. Harooka et al.
[2] D adsorption on oxidised W: The case reproduces simulation results of E. A. Hodille et al. on the D adsorption/desorption on/from oxidised W. The simulations are based on experiments performed by A. Dunand et al.
[3] D atom exposure of self-damaged W: The case reproduces simulation results of E. A. Hodille et al. on the isothermal D implantation in self-damaged W, followed by isothermal desorption. The simulations are based on experiments performed by S. Markelj et al.
[4] D implantation in W-damaged EUROFER: The case reproduces experimental results of K. Schmid et al. on the D implantation in damaged EUROFER, followed by TDS measurements. The FESTIM model is mainly based on the simulations of K. Schmid et al.
[5] MMS test
Jupyter notebooks can be run in the browser with Binder:
For a local use, clone this repository to your local machine.
git clone https://github.com/KulaginVladimir/FESTIM-SurfaceKinetics-Validation
Create and activate the correct conda environment with the required dependencies:
conda env create -f environment.yml
conda activate festim-surface-kinetics-vv-env
This will set up a Conda environment named festim-surface-kinetics-vv-env with all the required dependencies for running the FESTIM scripts.
Navigate to the desired case folder and run the Jupyter books using the activated Conda environment.
Note
LaTeX is required to reproduce paper-quality figures. To install required dependencies, run the following command in your terminal:
sudo apt-get install dvipng texlive-latex-extra texlive-fonts-recommended cm-super