Pressure-induced maximum shear strength and transition from shear banding to uniform plasticity in metallic glass

Abstract

The effect of pressure on the mechanical and physical properties of metallic glasses (MGs) has been widely reported. In experiments, it remains challenging to mechanically loading the materials under extreme hydrostatic pressures and carrying out the corresponding measurements. Here, we investigate the pressure dependence of shear response of a typical brittle FeP MG by using molecular dynamics (MD) simulations. We show that the plastic deformation of this MG loaded at a pressure below 10 GPa is highly localized in the form of a dominant shear band. The plastic flow stress during shear banding is measured to increase with the applied pressure, leading to a pressure-induced strengthening behavior at pressures in the range of 0–10 GPa. As the pressure is increased to a critical pressure of approximately 15 GPa, there occurs a transition in the deformation mechanism from localized shear banding to a delocalized shear deformation mechanism governed by the uniform activation of individual shearing events in the material. At this critical pressure, both the yield strength and the average flow stress are maximized. Further increasing the pressure lowers the strength of the material. The pressure effect on the evolution of different types of atomic clusters is analyzed, revealing that the pressure-sensitivity of atomic clusters in MGs is related to their structural symmetry. Under high hydrostatic pressures, low-symmetry clusters become sluggish due to their larger pressure sensitivity. In such circumstances, high-symmetry clusters with lower pressure sensitivity are relatively more active during shear deformation and evenly distributed in the whole sample, leading to the uniform plastic deformation at high pressures. Our findings calls for further experimental investigations of the effect of pressure on mechanical properties and deformation mechanisms of MGs.