纳米切削分子动力学仿真可视化研究

Visualization of Molecular Dynamics Simulation of Nanometric Cutting

为了更好的理解纳米切削的机理,该文使用C++和OpenGL技术构建了纳米切削分子动力学仿真可视化系统MDView。MDView根据仿真模型特点采用面向对象技术动态建立与仿真结果对应的原子集合类,应用显示列表和显示细节技术优化可视化性能。实现的三维数据显示、剖视显示和交互操作功能可用于仿真结果观察和程序调试。最后利用MDView对金刚石刀具切削单晶铝材料的纳米切削分子动力学仿真进行了可视化。可视化结果对于调试纳米切削分子动力学计算程序和观察切削变形起到了良好的作用。

In order to understand the mechanism of nanometric cutting better, the system of MDView, using C ＋ ＋ and OpenGL technologies, is developed to realize visualization of molecular dynamics （MD） simulation results of nanometric cutting. In MDView, classes of atoms are dynamically created with object - oriented technology based on the simulation model. Some technologies are also involved in optimizing the performance of visualization, including display list and details of visualization. Functions such as 3D view, sectional view and interaction are fulfilled to provide vivid observations and are found to play an important role in program debugging. MDView is finally applied to achieve visualization of nanometric cutting of single crystalline aluminum with a diamond tool by MD simulation. The results of visualization play a good part in debugging the calculating program of MD simulation of nanometric cutting and observing cutting distortion.