采用VC++集成环境和OpenGL技术开发了面向微构件特性评价的分子动力学模拟软件系统(MDIS)。MDIS模拟系统可以实现微构件的纳米切削加工和微拉伸等参数化分子动力学仿真,同时可以实现特殊微构件-单壁碳纳米管的力学特性评价。软件利用了模块化设计思想,界面友好,易于操作,集成度高,适合微构件综合分子动力学分析。采用MDIS系统对金刚石刀具切削单晶铜材料以及单壁碳纳米管与单晶硅材料相互作用的分子动力学模拟进行了仿真模拟研究。
Using VC++ environment and OpenGL technique,molecular dynamics integration simulation (MDIS) software is developed. MDIS software can perform parameterized simulation of nanometric cutting process and property evaluation of the particular nano structure-single wall nano-tube. Based on the idea of module design,MDIS software has a friendly interface and a high integration,and is fit for evaluating the property of nano structures. The nanometric cutting of single crystal copper with a diamond tool and the interaction between single wall carbon nano-tube and single crystal silicon material were simulated and visualized with MDIS software.