Atomistic Simulation of Deformation and Failure Mechanism for Intermetallic Compound Mg17Al12

Abstract

The deformation and failure processes of the composition of Mg17Al12 magnesium alloy near defects at atomic scale level are examined by means of molecular dynamics (MD) simulation. With the increase of temperature, the maximum elastic deformation and the yield stress of Mg17Al12 are reduced, obviously, .i.e. “Softeningâ€. The effect of different radii of voids on deformation of Mg17Al12 is analyzed by means of the center of symmetry parameters. The dislocations have been observed along with the [110] crystal direction, which reveal that the dislocation is the main deformation mechanisms of Mg17Al12.The “necking†of intermetallic compound Mg17Al12 between the two voids show that it has well capable of plasticity.