Dislocation-mediated plasticity in silicon during nanometric cutting: A molecular dynamics simulation study
Dislocation-mediated plasticity in silicon during nanometric cutting: A molecular dynamics simulation study
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DOI：
10.1016/j.mssp.2016.05.003
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发表时间：
2016-08-15
影响因子：
4.1
通讯作者：
Luo, Xichun
中科院分区：
文献类型：
--
作者：
Chavoshi, Saeed Zare;Xu, Shuozhi;Luo, Xichun
在纳米切削过程中，位错的形核和扩展及其对硅缺陷结构的影响尚不清楚，尽管十多年来，硅的非晶化和高压相变研究一直是各个不同学科研究的中心。本文提出了在大范围温度（300-1500 K）下不同切割平面/方向的硅纳米切削分子动力学模拟中，采用全自动位错提取算法识别晶体塑性的新机制。除了硅的非晶化外，我们的模拟还揭示了在各种接触加载操作和硅的制造过程中，位错和层错的纳米尺度随机成核是微观塑性的介质。有趣的是，无论切割温度如何，在（110）[00 (1)over bar]或（在Viol晶体设置中）切割中，由三个原子层产生的层错都不会在（010）[(1)over bar]中形成。(C) 2016年作者。Elsevier Ltd.出版。
The nucleation and propagation of dislocations and its consequence on the defect structure in silicon during nanometric cutting are not well known, although the amorphization and high pressure phase transformation studies on silicon have remained at the epicentre of research across various disparate disciplines for over a decade. This paper proposes a new mechanism of crystal plasticity identified by a fully automated dislocation extraction algorithm in molecular dynamics simulations of nanometric cutting of silicon for different cutting planes/directions at a wide range of temperatures (300-1500 K). Alongside amorphization of silicon, our simulations revealed nanoscale stochastic nucleation of dislocations and stacking faults, which serve as mediators of microscopic plasticity during various contact loading operations and manufacturing processes of silicon. Of interest is that, irrespective of the cutting temperature, the stacking faults, which were not formed for either the (010)[(1) over bar 00] or (in Viol crystal setups, were generated with three atomic layers in the (110)[00 (1) over bar] cutting. (C) 2016 The Authors. Published by Elsevier Ltd.