角度相关函数与径向分布函数分析微组织结构

Analysis of material microstructure change by ADF and RDF methods

为了研究纳米加工过程导致材料组织结构的变化,采用分子动力学方法,构建了单晶铜耦合纳动纳米加工模型,并进行了纳米切削过程仿真.提出采用角度相关函数(ADF)结合径向分布函数(RDF)方法,分析单晶铜耦合纳动加工过程中材料亚表面组织结构变化.模拟结果表明,单晶铜(111)表面耦合纳动加工过程中,在材料的亚表面原子存在从密排六方排列转变为面心结构排列的不稳相变.

To research the microstructure change in nanomachining process,a coupling nanofretting nanomachining model of single crystal copper is presented using molecular dynamics methods,and nanocutting processes are simulated.By angle distribution function（ADF） and radial distribution function（RDF）,the structure changes of subsurface in material are analyzed,and the results show that there exists an unstable phase transition from the close-packed hexagonal structure to face-centered cubic structure in the subsurface of single crystal copper during coupling nanofretting nanomachining process.