A MD Study on the Temperature Influence on Ni/Al Interface at Initial Diffusion Time

Abstract

The molecular dynamic method and interface diffusion theory are used to simulate Ni/Al metal interface diffusion. One of the unit cells containing 576 Ni atoms and 128 Al atoms is chosen and computed under different temperatures (600K, 700K, 800K, 900K, 1000K, 1100K, 1200K, 1300K), respectively. We mainly analyze the position image of the interface diffusion atoms of Ni/Al interface reaction and the radial distribution function curve of the selected region, after the molecular dynamics program running 1200000 steps, under different temperatures, at initial diffusion time.