Strain rate effects on the atomic structure and plastic deformation of a CuZr metallic glass

Abstract In this study, molecular dynamics simulations were performed to investigate the uniaxial tensile behavior of a Cu 64 Zr 36 metallic glass over a wide range of strain rates (5 × 10 5 to 1 × 10 9 s −1 ). The results show that, while the elastic response displays slight variations, the plastic regime exhibits a remarkable rate-dependent behavior, with higher strain rates resulting in increased strength and delayed atomic rearrangements. Structural analyses reveal that increasing strain rates result in a more pronounced reduction in icosahedra-like structures, a decrease in five-fold local symmetry, and an increase in atomic disorder, reflected in the larger populations of liquid-like polyhedra. Network analysis further demonstrates that higher strain rates promote the fragmentation of the interconnected atomic networks formed by the icosahedra-like structures. These findings provide a detailed mechanistic understanding of how strain rate affects the interplay between structure and deformation in metallic glasses.