Cooperative atomic motion during shear deformation in metallic glass

Abstract

Abstract Elucidating mechanical deformation in glassy materials at the atomic level is challenging due to their disordered atomic structure. Using our frozen-atom analysis of the simulation data, we reveal that anelastic deformation in CuZr metallic glasses is fundamentally driven by cooperative atomic motions of tens of atoms elastically linked to one another, forming trigger groups. They initiate localized rearrangements, which can cascade into plastic flow. These cores show no clear structural or elastic precursors in the initial configuration, challenging the idea that deformation occurs in defective regions. Instead, deformation events are highly stochastic and transient, driven by collective atomic motion. This finding not only reshapes our understanding of glassy material deformation mechanisms but also highlights cooperative motion as a key factor in avalanche-like phenomena governing the behavior of disordered systems across multiple scales.