A Molecular Dynamics Study of the Influence of Elastic Strain on the Intensity of Mutual Diffusion at a Solid–Liquid Contact of Ni and Al

The influence of uniaxial elastic strain of the Ni lattice on the intensity of mutual diffusion at a solid–liquid contact of Ni and Al has been studied by the molecular dynamics method. In all the cases under consideration, the intensity of diffusion has been found to increase and decrease upon extension and compression, respectively, which is related to a corresponding change in the free volume affecting to a great extent the diffusion mobility of atoms. It has been established that the intensity of mutual diffusion in the case of the (111) interface orientation relative to the Ni lattice is higher in comparison with the (001) orientation. This difference is explained by the different energies of Ni atoms in the aluminum phase and incorporated in the interface of crystalline nickel for both cases.