A grand challenge in material science is to understand the correlation between intrinsic properties and defect dynamics. Radiation tolerant materials are in great demand for safe operation and ...

Self-interstitials usually move faster than vacancies in metals and conventional alloys by a few orders of magnitude, where such vastly different mobility can have a significant impact on the material ...

I am trying to enumerate interstitial sites in a BCC structure. The DefectsGenerator successfully identifies the tetrahedral sites, but misses the octahedral sites. It looks like the Voronoi-based ...