Molecular dynamics simulations based on the diffusion interface of solid-phase Ti, Al system

This is a simulation of Ti-Al interfacial diffusion of the in file and the use of the potential function, through the model code can be watched to the Ti-Al interfacial diffusion, this code to 650k, [110] crystal down as an example, can be changed by changing the code to change the temperature and crystal direction, to study different temperatures, crystal direction of the Ti-Al interfacial diffusion.

本数据集依托附带文件与势函数（potential function）实现钛-铝界面扩散（Ti-Al interfacial diffusion）模拟，通过该模型代码可观测钛-铝界面扩散过程。本代码以650K、[110]晶向（crystal direction）为例，使用者可通过修改代码调整温度与晶向，进而开展不同温度、不同晶向下的钛-铝界面扩散相关研究。