The basic theory of molecular dynamics and interface diffusion theory were 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 the initial time at a high temperature could be obtained. Through these images of diffusion atoms position, it was observed that there was a lot of change during the simulation process. The Al atoms layer of the matrix began to melt first. The Ni atoms in the matrix began to diffuse outward rapidly in large quantities. The Al atoms diffused overall to one side of the matrix at a relatively low speed. The interdiffusion layer thickness increased continuously and interdiffusion atoms solidified gradually from one side of the matrix to the surface. The process of change was further verified by the corresponding radial distribution function curves.

Study on Ni/Al Interface Diffusion at Initial Time by using Molecular Dynamics Method. Dai, Y., Zhu, S., Wang, F.: advanced Materials Research, 2012, 391-392, 42-5