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The evolution from initiation to formation of a shear band in Zr 46 Cu 46 Al₈ 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 &lt;0, 0, 12, 0&gt; and the minimum of the number of the polyhedral loss of Zr-centered &lt;0, 2, 8, 5&gt; correspond to the shear-band formation. These findings provide a strong foundation for characterizing the evolution from initiation to formation of shear bands.

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