Overview

Source files to reproduces the main results of the PhD thesis entitled Modelling of deuterium retention and desorption processes in tungsten under pulsed plasma and laser impact.

Structure

• Thesis: Thesis and annotation. I am very grateful to the authors of Russian-Phd-LaTeX-Dissertation-Template that simplified significantly the process of my PhD preparation. To compile the files locally, visit the referenced Git repository for instruction on the work with the LaTeX template.
• Scripts: FESTIM scripts and data to reproduce the results. Some raw data is too heavy to distribute via Git, so it was made available via Zenodo.
  • Chapter 1: Scripts to reproduce several figures for the literature review
  • Chapter 2: Scripts and data for V&V of the kinetic surface model in FESTIM. The original scripts are openly available in this repository. More details can be found in the associated paper.
  • Chapter 3: Scripts and data for the model validation against QSPA-T experiments and simulations of the D retention in W under ELM-like exposure. The results on ELM-like impact on retention were published in V.Kulagin et al. JNM 2025.
  • Chapter 4: Scripts and data for the model validation against LID experiments and estimations of the LID efficiency under different conditions. The results on the estimation of the atomic fraction in the desorption flux are presented in V.Kulagin et al. FusDes 2022 and V.Kulagin et al. J. Surf. Investig. 2022. The results about the effect on material properties on the LID efficiency are published in V.Kulagin et al. JNM 2023.

How to use

For a local use, clone the repository to your local machine.

git clone https://github.com/KulaginVladimir/PhD

Create and activate the correct conda environment with the required dependencies. Navigate to the Scripts folder and run in your terminal:

conda env create -f environment.yml
conda activate PhD-env

This will set up a Conda environment named PhD-env with all the required dependencies for running the FESTIM scripts.

Warning

Some scripts for chapters 3 & 4 were ran on HPC with Slurm Workload Manager. Each subfolder includes the HPC scripts. An example on how to perform a sequential series of simulations is given in this book For any queries, contact: VVKulagin@mephi.ru

Navigate to the desired folder and run the Jupyter books using the activated Conda environment. The archive with the raw data can be accessed via Zenodo.

Note

LaTeX is required to reproduce figures. To install the required dependencies, run the following command in your terminal:

sudo apt-get install dvipng texlive-science texlive-latex-extra texlive-fonts-recommended cm-super