Molecular dynamics simulations of glide dislocations induced by misfit dislocations at the Ni/Al interface

Abstract

3D molecular dynamics simulations were employed to investigate the influence of misfit dislocations of Ni-Al interface on glide dislocations under uniaxial loading for some specific crystallographic orientations. The simulation results show that the glide dislocations nucleated from the interface were dependent on the misfit dislocation structure at the Ni-Al interface. Square, disordered and polyline types of dislocations were observed at Al(0 0 1)/Ni(0 0 1), Al(0 0 1)/Ni(1 1 0) and Al(0 0 1)/Ni(1 1 1) interface, respectively. Moreover, under uniaxial loading, glide dislocations were induced from the line of misfit dislocations at the interface, and due to the hard-soft interface structure, glide dislocations were only observed in Al. Glide dislocations mainly occurred on {1 1 1} planes, and when these dislocation planes expanded they might collide with each other. © 2010 Elsevier B.V. All rights reserved.