Abstract
Athermal quasi-static compressive deformation for a model metallic glass is investigated by molecular dynamics simulations. A new structural parameter, quasi-nearest atom (QNA), is used to characterize local atomic packing of initial structure. We find that regions with higher nonaffine displacement have more atoms with more QNA. The coarse grained number of QNAs exhibits significant spatial heterogeneities and these structural fluctuations show close correlation with the nonaffine displacement. The correlation between the coarse grained number of QNA and nonaffine displacement does not decrease as the strain increases but show the maximum at a certain strain, indicating that strain localized regions are activated individually. Therefore, our results provide a direct evidence of the correlation between atomic structure and deformation in metallic glass.
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