Study on Ni/Al Interface Diffusion at Initial Time by Using Molecular Dynamics Method

摘要

The basic theory of molecular dynamics and interface diffusion theory are used to simulate metal Ni/Al interface diffusion. The position image of the interface diffusion atoms and radial distribution function curve of Ni/Al interface reaction at initial time at a high temperature can be got. Through these images of diffusion atoms position, it is observed that there is a lot of change during the simulation process. The Al atoms layer of the matrix begins to melt at first. Ni atoms in the matrix begin to diffuse outward rapidly in large quantities. Al atoms overall diffuse to one side of the matrix at a relatively low speed, inter-diffusion layer thickness increases continuously and inter-diffusion atoms are solidified gradually from one side of the matrix to the surface. The process of change has been further verified in the corresponding radial distribution function curves. These conclusions can provide a theoretical reference for the technology of new materials preparation and the expansion of the environment of Ni/Al use.