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Molecular Dynamics Simulation of Structural Signals of Shear-Band Formation in Zr46Cu46Al₈ Metallic Glasses
Shi-Dong Feng1,2, Keith K C Chan3, Lei Zhao4
1State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China. shidong.feng@polyu.edu.hk.
Abstract:
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 q₆ 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.
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