Atomistic Simulation on the Twin Boundary Migration in Mg under Shear Deformation

In this paper, the {[Formula: see text]} twinning and detwinning was studied by molecular dynamics simulation under different shear directions and strain rates. The results showed that the twin was thickened under [[Formula: see text]] shear direction and shrunken with shearing in the opposite direction. The critical resolved shear stress of {[Formula: see text]} twin boundary migration increased with the increase of the strain rate. By analyzing the atom’s displacement, it was concluded that the {[Formula: see text]} twin migration was achieved by both the shear and the atomic shuffling. Every atom would be affected by the shear, and different shear directions would cause opposite move directions, which led to twinning or detwinning. The atom shuffling was only used for adjusting the glide twin boundary and mirror-symmetric twin boundary structure evolution.