The ω structure of the lateral twin boundary in tungsten

Abstract

The structure of the Σ3⟨110⟩{111} lateral twin boundary in tungsten has been studied using molecular static simulation. Two distinct boundary structures were found to be stable or metastable in the considered models. Multilayer oscillatory relaxation profiles were observed for the internal energy and local boundary dilatation. It was shown that the resulting structures are broad and alternate atomic planes in the immediate vicinity of the Σ3⟨110⟩{111} twin boundary may coalesce to form atomic planes with hexagonal-close-packed structure. The description of the incoherent twin boundary as a rigid ω-phase sandwich accounts almost entirely for the revealed atomic configuration.