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A molecular dynamics study of void interaction in copper

Shuozhi Xu's picture


Molecular dynamics simulations in three-dimensional single crystal copper under remote uniaxial tension at high strain rate (109/s) were performed to analyze the microscopic mechanism of dislocation emission and void interaction. Two different cases, characterized by whether the line joining centers of two embedded cylindrical voids was perpendicular to or paralleled the tension direction, were studied using embedded atom method (EAM) potentials. The mean-squared displacements of atoms around the voids marking both yielding and coalescence points were presented. The critical position of the first slide was predicted where shear stress at slip plane was maximum.



i need some information about molecular dynamic and its application in mechanical engineering,such fracture and crack.

please guide me.

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