Molecular Dynamics Simulation of Structural Signals of Shear-Band Formation in Zr46Cu46Al8 Metallic Glasses

SD Feng and KKC Chan and L Zhao and LM Wang and RP Liu, MATERIALS, 11, 2564 (2018).

DOI: 10.3390/ma11122564

The evolution from initiation to formation of a shear band in Zr46Cu46Al8 metallic glasses is presented via molecular dynamics simulation. The increase in number and the decrease in average size of clusters with the quasi-nearest atoms being 0 correspond to the shear- band evolution from initiation to formation. When the shear band is completely formed, the distribution of the bond orientational order q(6) reaches a minimum. The maximum of the number of the polyhedral loss of Cu-centered <0, 0, 12, 0> and the minimum of the number of the polyhedral loss of Zr-centered <0, 2, 8, 5> correspond to the shear-band formation. These findings provide a strong foundation for characterizing the evolution from initiation to formation of shear bands.

Return to Publications page