General simulation tools can be found here:
https://sites.google.com/site/zrfbuaa/links
https://wiki.fysik.dtu.dk/ase/about.html
Grain boundary-Dislocation interaction in Iron:
https://doi.org/10.1016/j.commatsci.2017.05.026
Cascade interaction with grain boundaries in Iron:
https://doi.org/10.1016/j.jnucmat.2019.06.021