This repository contains scripts for V&V of the kinetic surface model implemented in FESTIM.
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 implantation in 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 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.