Exemplary input scripts for the generation of glass using LAMMPS and Python scripts for persistent homology analysis.
This code is used in the following publication: Achraf Atila, Yasser Bakhouch, Zhuocheng Xie, Revealing the Void-Size Distribution of Silica Glass using Persistent Homology, Materialia, 44, 102613, 2025, https://doi.org/10.1016/j.mtla.2025.102613
If you use these codes in any way in your work, please cite the paper above.
@article{Atila2025MTLA,
title = {Revealing the void-size distribution of silica glass using persistent homology},
journal = {Materialia},
volume = {44},
pages = {102613},
year = {2025},
issn = {2589-1529},
doi = {https://doi.org/10.1016/j.mtla.2025.102613},
url = {https://www.sciencedirect.com/science/article/pii/S2589152925002819},
author = {Achraf Atila and Yasser Bakhouch and Zhuocheng Xie},
keywords = {Medium-range, Voids, Topology, Silica glass, Atomistic simulations, Persistent homology}
}