Molecular dynamics simulations are employed to investigate the atomic mobility in Ni50Zr50 amorphous alloys under both static conditions and shearing. Diffusion occurs under static conditions via cooperative stringlike motion involving atoms with large volumes. Atomic mobility is instead governed by rearrangements localized in shear transformation zones (STZs) under shearing. Local atomic volume plays in both cases a key role, the atomic ensembles involved in diffusion and STZ activity being strongly correlated.
Atomic mobility and strain localization in amorphous metals
DELOGU, FRANCESCO
2008-01-01
Abstract
Molecular dynamics simulations are employed to investigate the atomic mobility in Ni50Zr50 amorphous alloys under both static conditions and shearing. Diffusion occurs under static conditions via cooperative stringlike motion involving atoms with large volumes. Atomic mobility is instead governed by rearrangements localized in shear transformation zones (STZs) under shearing. Local atomic volume plays in both cases a key role, the atomic ensembles involved in diffusion and STZ activity being strongly correlated.
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