Theoretical study of the void collapse and shear band formation mechanism for β-HMX

Based on molecular dynamics simulation, we obtain a shear band formation mechanism for beta-HMX. The shock wave reflected at void face induces rarefaction wave, and the velocity difference between rarefaction wave zone and shock wave zone induces slipping. A set of physical models are developed to describe the wave reflection, shear band expansion and energy dissipation. The orientation angle, face indices, expansion velocity and formation energy of shear bands are calculated. A complete physical picture for shear band formation is obtained.