The motion of misfit dislocations in an Ni/Ni3Al interface was studied in periodic simulation cells subjected to applied shear stress. Three different motional mechanisms of the misfit dislocation were observed. The simulation results showed that, at low stress, the motion of misfit dislocation occurred via the nucleation and propagation of the double kinks; however, at higher stress, the motion of misfit dislocations was obstructed by an intrinsic stacking fault. The simulation results suggested that the stability of the Ni/Ni3Al interface was strongly related to the interaction of misfit dislocations that were perpendicular to each other.

Motion of Misfit Dislocation in an Ni/Ni3Al Interface: a Molecular Dynamics Simulations Study. Xie, H.X., Wang, C.Y., Yu, T.: Modelling and Simulation in Materials Science and Engineering, 2009, 17[5], 055007