Abstract

In this study, molecular dynamics simulations were performed to investigate the uniaxial tensile behavior of a Cu64Zr36 metallic glass over a wide range of strain rates (5 × 105 to 1 × 109 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. © 2025 IOP Publishing Ltd. All rights, including for text and data mining, AI training, and similar technologies, are reserved.