A Study of Simulation of Three-Dimensional Quasi-Steady Molecular Statics Nanoscale Orthogonal Cutting of Single-Crystal Silicon Material Having Rows of Atoms with Vacancy Defect

三維準穩態分子靜力學模擬奈米級正交切削具有成排缺陷單晶矽之研究

林榮慶(Zone-Ching Lin) ； 簡辰學(Chen-Syue Jian) ； 王仁源(Ren-Yuan Wang)

《中國機械工程學刊》 35卷4期 (2014/08) Pp. 257-264

摘要

本文使用三維準穩態分子靜力學方法針對具有缺陷存在的矽工件進行奈米級正交切削模擬，分析其切削力、切屑形狀、等效應力及等效應變的模擬結果。單晶矽在長晶時內部仍會產生許多點缺陷，經過熱能效應產生聚結擴散可能形成微缺陷，這些點缺陷因聚集的方式及形狀不同而有不同名稱，故本文將一排和兩排空位原子設定在單晶矽材料當中，以具有後斜角15度、間隙角10度以及刀鼻半徑5Å的單晶鑽石刀具對工件進行切削模擬，並與無缺陷結晶的材料作出分析比較。

並列摘要

Employing quasi-steady molecular statics method to carry out simulation of nanoscale orthogonal cutting of single-crystal silicon having rows of atom with vacancy defect, the paper analyzes the simulation results of its cutting force, chip shape, equivalent stress and equivalent strain. During crystal growth period, single-crystal silicon still has many point defects caused inside. The agglomeration and diffusion caused by thermal energy effect may form micro defects. Due to different ways and different shapes of agglomeration, these point defects are given different names. Therefore, this paper supposes that a single-crystal silicon material contains a row of several defected atoms with vacancy and two rows of defected atoms with vacancy. A single-crystal diamond cutting tool is used to carry out simulated orthogonal cutting of single-crystal silicon workpiece. After that, the paper compares this simulated cutting result with the orthogonal cutting result of defect-free single-crystal silicon workpiece. Due to the single-crystal silicon workpiece with vacancy defect, the paper proposes a correction method of the workpiece atom coding in the main cutting program for the defected single-crystal silicon workpiece. It not only can simulate the workpiece with defect-free lattice, but also can perform simulated orthogonal cutting of the workpiece with defects produced inside.

並列關鍵字

quasi-steady molecular statics ； nanoscale orthogonal cutting ； vacancy defect