Abstract

Mechanical deformation of Cu50Zr50 metallic glasses (MGs) with CuZr B2 layers was explored using tensile tests under iso-strain and iso-stress conditions using molecular dynamics simulations. Atomic structure identification was conducted through machine learning techniques, enabling a distinct examination of the deformation exhibited by each phase. Our results revealed early-stage plasticity driven primarily by shear transformation zones at the amorphous/crystalline interface, rather than shear band formation and propagation observed in the monolithic MG, leading to nanolaminates with enhanced strength. Furthermore, under iso-strain deformation, B2 layers underwent martensitic transformation promoted by the nucleation of voids. However, void growth quickly supersedes these effects under both iso-strain and iso-stress conditions, culminating in sample fracture. In summary, this work advances our understanding of amorphous/crystalline nanolaminates, providing valuable insights into their mechanical complexities.