Modeling of (121) Twin Boundaries in 2H Martensite

摘要

The structures of {121} twin boundary in orthorhombic 2H martensite are modeled using Finnis-Sinclair type many-body interatomic potentials. The boundary corresponds to type-I twinning in 2H martensite of Cu-Al-Ni, Cu-Zn-Al and Au-Cd alloys. Three possible configurations of the {121} boundary are found. The structure with the lowest energy possesses a non-corrugated central {121} plane.