单晶铜纳米加工过程中热效应及缺陷结构的原子尺度模拟

来源期刊:中国有色金属学报(英文版)2012年第11期

论文作者:郭永博 梁迎春

文章页码:2762 - 2770

关键词:单晶铜;原子尺度模拟;热效应;分子动力学模拟;纳米加工;温度分布;缺陷结构;位错;空位

Key words:monocrystalline copper; atomistic simulation; thermal effects; molecular dynamics simulation; nanomachining; temperature distribution; defect structures; dislocations; vacancies

摘    要:基于建立的新型三维仿真模型,采用分子动力学方法模拟单晶铜(100)表面纳米加工过程,研究材料的去除机理和纳米加工过程中系统的温度分布与演化规律。仿真结果表明:系统的温度分布呈同心型,切屑温度最高,并且在金刚石刀具中存在较大的温度梯度。采用中心对称参数法区分工件中材料缺陷结构的形成与扩展。位错和点缺陷是纳米加工过程中工件内部的主要缺陷结构。工件中的残余缺陷结构对于工件材料的物理属性和已加工表面质量具有重要影响。位错的成核与扩展、缺陷结构的类型均与纳米加工过程中系统的温度有关。加工区域温度升高有利于位错从工件表面释放,使工件内部位错结构进一步分解为点缺陷。采用相对高的加工速度时,工件中残留缺陷结构较少,有利于获得高质量的加工表面。

Abstract: Molecular dynamics (MD) simulations of monocrystalline copper (100) surface during nanomachining process were performed based on a new 3D simulation model. The material removal mechanism and system temperature distribution were discussed. The simulation results indicate that the system temperature distribution presents a roughly concentric shape, a steep temperature gradient is observed in diamond cutting tool, and the highest temperature is located in chip. Centrosymmetry parameter method was used to monitor defect structures. Dislocations and vacancies are the two principal types of defect structures. Residual defect structures impose a major change on the workpiece physical properties and machined surface quality. The defect structures in workpiece are temperature dependent. As the temperature increases, the dislocations are mainly mediated from the workpiece surface, while the others are dissociated into point defects. The relatively high cutting speed used in nanomachining results in less defect structures, beneficial to obtain highly machined surface quality.

相关论文

  • 暂无!

相关知识点

  • 暂无!

有色金属在线官网  |   会议  |   在线投稿  |   购买纸书  |   科技图书馆

中南大学出版社 技术支持 版权声明   电话:0731-88830515 88830516   传真:0731-88710482   Email:administrator@cnnmol.com

互联网出版许可证:(署)网出证(京)字第342号   京ICP备17050991号-6      京公网安备11010802042557号