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

SC Song and Y Wang and Y Wang and X Wang, MATERIALS, 12, 3129 (2019).

DOI: 10.3390/ma12193129

In this paper, the 10 (1) over bar2 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 10 (1) over bar1 shear direction and shrunken with shearing in the opposite direction. The critical resolved shear stress of 10 (1) over bar2 twin boundary migration increased with the increase of the strain rate. By analyzing the atom's displacement, it was concluded that the 10 (1) over bar2 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.

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