物理学报2012，Vol.61Issue(16)：475-481,7.
氧化硅团簇切削单晶硅粗糙峰的分子动力学模拟研究
A molecular dynamics study of silica cluster cutting single crystalline silicon asperity
摘要
Abstract
The molecular dynamics simulation method is used to study the process of silica particle cutting the roughness surface at various cutting depths. The conditions of the asperity and the particle, force bearing state of particle, the distributions of coordination number and temperature in the asperity are investigated. The simulation results show that the material removal rate is small when the cutting depth is smaller than 0.5 nm, and the removed atoms sticking to the silica particle are in single atom or atom cluster form. When the cutting depth is larger than 1 nm, the material removal rate becomes larger; meanwhile a larger scrap is formed. The crystalline silicon is converted into a locally ordered transient structure which is similar to Si-I and Bct5-Si with the increases of temperature and pressure in the cutting process; then the transient structure forms amorphous silicon directly as the temperature and pressure decrease after the cutting process.关键词
单晶硅/分子动力学模拟/非晶相变/超精密加工Key words
single crystalline silicon/molecular dynamics simulation/amorphous phase transformations/ultra precision machining分类
矿业与冶金引用本文复制引用
司丽娜,郭丹,雒建斌..氧化硅团簇切削单晶硅粗糙峰的分子动力学模拟研究[J].物理学报,2012,61(16):475-481,7.基金项目
国家重点基础研究发展计划（批准号：2009CB724201）、国家自然科学基金（批准号：91023016）和国家自然科学基金创新研究群体科学基金（批准号：51021064）资助的课题. （）
