Soner Özgen

GRAINSMITH: A Generator of Polycrystalline Models for Atomistic Simulations with Statistical and Grain-Boundary Morphology Control

Atomistic studies of grain-boundary engineering, grain-size effects and dopant enrichment require reproducible models with prescribed microstructural features. We present GRAINSMITH, an open-source Python package for generating statistically controlled polycrystalline models with selectable grain-boundary morphologies...