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为了研究脆性单晶材料单晶硅(111)晶面微观机械特征,应用分子动力学,对压痕过程进行仿真分析.本文应用平均势能和径向分布函数相结合方法对压痕过程进行考察.仿真结果表明,工件在压头附近的晶格结构发生变化.在仿真过程中通过确定工件内部的分界线来表明位错传播运动;在压痕结束后工件自身弛豫过程变形区域弹性恢复大约27%.,应用Hysitron公司的Triboindenter纳米原位压痕仪进行压痕实验,并把实验得到的材料压痕折合模量与分子动力学仿真计算结果进行比较,结果表明仿真的误差率小于31%.
In order to study the micromechanical characteristics of single crystal silicon (111) crystal surface of brittle single crystal material, the indentation process was simulated by molecular dynamics simulation method.In this paper, the average potential energy and radial distribution function were used to investigate the indentation process. The simulation results show that the lattice structure of the workpiece changes near the indenter, and the dislocation propagation motion is indicated by the determination of the boundary line inside the workpiece during the simulation. After the indentation is completed, the elastic deformation of the workpiece is relaxed by about 27 %, Using Hysitron’s Triboindenter nanoindenter indenter test indentation, and the experimental materials obtained by indentation modulus and molecular dynamics simulation results were compared, the results show that the simulation error rate of less than 31%.