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.