Unveiling the Atomistic Mechanisms of Shear-Induced LDA$\leftrightarrow$HDA Transformations and Shear Banding in Amorphous Silicon under High Pressures

Hao Chen, Valery I. Levitas, Tengyi Liu +3

Large-scale molecular dynamics simulations of shear deformation under constant pressures of amorphous silicon, PT from low-density-amorphous (LDA) to high-density-amorphous (HDA) S…