Supporting files for "Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations"

Supporting files for the publication:

"Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations"

This repository contains a minimal dataset useful to interpret/extend the work presented in the article.

This includes :

Machine-learning interatomic potentials for Fe and W developped in this work

Example LAMMPS and PAFI scripts

Molecular dynamics structures used for all calculations

All data presented in the figures of the article are released

Repository structure is documented in structure.yaml.