Atomistic simulation of shear localization in Cu–Zr bulk metallic glass

Shear deformations of Cu57Zr43 bulk metallic glass (BMG) model systems are performed using molecular dynamics simulation. The results suggest that both the hydrostatic stress and the stress normal to the shear plane should affect the shear response (modified Mohr–Coulomb yield criterion). We see shear localization and shear band nucleation in both a small system of 2000 atoms, and large systems of 524,288 atoms, and analyze local atomic structure evolution.