Identification and characterization of potential shear transformation zones in metallic glasses

The stability of local atomic configurations in a Ni-Zr metallic glass is studied by molecular dynamics. It is shown that individual atom displacements induce irreversible atomic rearrangements under different glass relaxation, temperature, and strain conditions. The number of regions with an unstable topology depends on the glass relaxation degree. Their time evolution is governed by thermal activation, the activation energy decreasing with elastic strain. It is also shown that unstable regions are located in correspondence of shear transformation zones operating under plastic deformation