Atomistic simulation of ZrNi metallic glasses under torsion test

ZrNi metallic glass alloy nanowires (NWs) under torsion are studied using molecular dynamics simulations based on the many-body embedded-atom potential. The effect of cooling rate on the deformation mechanism and mechanical properties of ZrNi NWs is evaluated in terms of shear strain, torque, potential energy and radial distribution function. Simulation results show that for slower cooling rates, the NWs have larger packing density, whereas for faster cooling rates, the packing density of atoms decreases. The amount of deformation increases with increasing torsional angle before it reaches a critical torsional angle (c). The torque required for deformation and the c value increase with decreasing cooling rate, indicating a larger mechanical strength. Localized shear bands concentrate at regions with high shear strains, leading to the formation of torsional buckling.