Molecular dynamics simulation of diffusion in Mg-Al system under pressure

Abstract

Abstract The Mg-Al composite material possesses a large potential value in practical application due to its excellent properties. Molecular dynamics with the embedded atomic method potentials is applied to study aluminium-magnesium (Al-Mg) interface bonding during deformation. Study of fabrication techniques to obtain composites with improved mechanical properties, careful investigation of phase composition, dynamics and kinetics are of high importance. The loading scheme used in the present work is the simplification of the scenario, experimentally observed previously to obtain Al/Cu composites. It is shown that shear strain has a crucial role in the diffusion process. The results indicated that the symmetrical diffusion took place in the Mg-Al interface during deformation. Tensile tests showed that fracture took place in the Mg part of the final composite sample, which means that the interlayer region where the mixing of Mg and Al atoms observed is much stronger than the pure Mg part.