Study on the mechanism of crystal-induced plasticity enhancement in Ni-Zr crystal/amorphous composites by molecular dynamics simulation

The industrial applications of metallic glass (MGs) are limited by poor plasticity, which crystal/amorphous composites (CACs) can effectively address. This study simulates the compression of Ni-Zr MGs with embedded fcc crystal phases by molecular dynamics to elucidate the mechanism of crystal-induced plasticity enhancement. The plasticity of CACs improves with larger crystal sizes. Atoms at the crystal-amorphous interfaces (CAIs) are classified as CAIfcc and CAIMGs for fcc and MGs, respectively. The transformation of CAIfcc to CAIMGs at the CAIs is crucial for plastic flow during compression. The connection between CAIfcc and CAIMGs clusters is less stable than that of fcc, making it more prone to damage and leading to multiple shear bands (SBs). These SBs offer additional pathways for plastic flow, reducing stress concentration and enhancing material plasticity. This research provides an atomic-level understanding of crystal-induced plasticity in CACs, offering valuable insights for designing high-performance CACs.