Molecular dynamics study of diffusion along Ni-Al interphase boundary in the conditions of deformation

Abstract

The structural changes on Ni-Al boundary with orientations (100) and (111) and diffusion along it were studied by the method of molecular dynamics in the conditions of uniaxial compression-tension deformation. It was shown that during deformation the misfit dislocations network is distorted. Tension leads to a decrease of diffusion activation energy and to intensification of diffusion along the interphase boundary. During compression, on the contrary, the activation energy increases. Anisotropy of the diffusion along the interphase boundary under uniaxial deformation was not observed.