Molecular dynamics simulation on plasticity deformation mechanism and failure near void for magnesium alloy

The plastic deformation processes of magnesium alloys near a void at atomic scale level were examined through molecular dynamics (MD) simulation. The modified embedded atom method (MEAM) potentials were employed to characterize the interaction between atoms of the magnesium alloy specimen with only a void. The void growth and crystal failure processes for hexagonal close-packed (hcp) structure were observed. The calculating results reveal that the deformation mechanism near a void in magnesium alloy is a complex process. The passivation around the void, dislocation emission, and coalescence of the void and micro-cavities lead to rapid void growth.