/Dislocation-Reaction-Prediction

Code for Section 2 of the paper "Data-driven exploration and continuum modeling of dislocation networks".

Primary LanguageJupyter NotebookMIT LicenseMIT

Prediction of Dislocation Reactions

Code for Section 2 of the paper

Sudmanns, M., Bach, J., Weygand, D., & Schulz, K. (2020). Data-driven exploration and continuum modeling of dislocation networks. Modelling and Simulation in Materials Science and Engineering.

To run the code, you would first need to obtain the data.

We use Python 3.7.5 (in particular, out of Anaconda3 2019.10). All necessary dependencies are stored in requirements.txt. You can install the requirements with pip install -r requirements.txt . We recommend to create a new environment before that, e.g., with conda, to store the specific versions of the packages. For that environment, you can also register its own Jupyter notebook kernel as described here. When changing the environment, the dependency file should be re-generated: pip freeze > requirements.txt