分子动力学仿真在精密加工领域的应用

Application of Molecular Dynamics Simulation in theField of Precise Machining

介绍了分了动力学的概况,论述了分子动力学仿真的基本原理,系统地介绍了目前分子动力学仿真所采用的几种势函数,并分析和总结了每一种势函数的意义和适用状况。较详细地介绍了国内外分子动力学仿真技术在精密加工领域的应用情况。指出分子动力学仿真技术是对微观物理系统进行宏观描述的一种有效工具,将成为除理论分析和实验观察之外的第三种科学研究手段。

Situation of molecular dynamics is introduced,fundamental principle of molecular dynamics simulation isexplained, several potential functions of the moleculardynamics simulation are systematically introduced atpresent, and significance and suitable situation of everypotential function is analyzed and summarized. Internationaland domestic application situation of the moleculardynamics simulation technology is introduced in detail inthe field of the precision machining. We have appointedthat molecular dynamics simulation technology is aneffective tool, which can describe micro-physics system inmacro-way and will become the third scientific researchmethod except theory analysis and experiment observation.