含有空位缺陷的单晶锗纳米切削过程分子动力学仿真

doi:10.16180/j.cnki.issn1007-7820.2019.12.011

Abstract

Abstract:

In order to study the nano-cutting process of monocrystal germanium with vacancy defect, a monocrystal germanium cutting model with vacancy defect was constructed and simulated by molecular dynamics simulation. In this paper, the change of system potential energy and the change of cutting force during cutting process are considered from the atomic point of view. The study explained the material removal process and the formation mechanism of chip, and analyzed the influence of vacancy defect on cutting. The results showed that more vacancies could lead to the increase of system potential energy in the cutting process of monocrystal germanium. This result indicated that the increase in vacancy defects was able to exacerbate system instability.

Key words: molecular dynamics simulation, cutting model, vacancy defect, monocrystal germanium, system potential energy, cutting force

CLC Number:

TN304

ZHANG Yifei,LI Shan,YANG Xiaojing,WU Shaohua,LIU Hao. Molecular Dynamics Simulation of Monocrystal Germanium Nanocutting with Vacancy Defects[J].Electronic Science and Technology, 2019, 32(12): 53-57.

Figures/Tables 10

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References 16

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材料	基体:单晶锗	刀具:金刚石
模型尺寸	8a×14a×9a,(a=5.657 ?)
原子数目	8 383	312
刀具前角	11°
刀具后角	0°
切削深度	1 nm
切削速度	200 m·s^-1
切削晶面	(111) 晶面
切削距离	6 nm
系统温度	293 K
积分步长	1 fs
势函数	Ge-Ge:Tersoff 势函数	C-Ge:Morse势函数

Molecular Dynamics Simulation of Monocrystal Germanium Nanocutting with Vacancy Defects

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