单晶SiC微切削机理分子动力学建模与仿真研究

doi:10.3969/j.issn.1000-1093.2018.08.023

摘要/Abstract

摘要： 单晶SiC硬度高、脆性大，加工困难，在塑性域加工时处于纳米尺度才可明显改善表面质量、获得高的精度。而单晶SiC的切削机理研究使用有限元和实验方法，无法获得时间尺度在飞秒或皮秒下材料发生的变化。为此，采用分子动力学模拟方法，对单晶3C-SiC切削过程进行了建模和仿真，分析了在不同切削速度、切削深度下切削力的变化。研究结果表明：切削速度为50 m/s、100 m/s和200 m/s时对应的平均切向切削力为737.34 nN、635.29 nN和587.09 nN，单晶SiC表面采用合适的切削速度能减小切削过程的切削力。

关键词: 单晶SiC, 分子动力学, 切削仿真, 微切削机理

Abstract: Single crystal SiC has high hardness and brittleness, resulting in its processing difficulties. The surface quality and processing precision of single crystal SiC can be significantly improved only when it is processed in the nano-scale plastic range. At the nanoscale, however, the change of material at femtosecond/picosecond cannot be obtained using finite element and experimental methods. The molecular dynamics（MD） is used to model the cutting process of single crystal 3C-SiC. The cutting force is changed at different cutting speeds and depths. The results show that the average tangential cutting forces are 737.34 nN, 635.29 nN and 587.09 nN at the cutting speeds of 50 m/s, 100 m/s and 200 m/s, respectively, and an appropriate cutting speed is helpful to reduce the cutting force for the single crystal SiC. Key

Key words: singlecrystalSiC, moleculardynamics, cuttingsimulation, micro-cuttingmechanism

中图分类号:

TG501.1

王超，李淑娟，柴鹏，严俊超，李言. 单晶SiC微切削机理分子动力学建模与仿真研究[J]. 兵工学报, 2018, 39(8): 1648-1654.

WANG Chao， LI Shu-juan， CHAI Peng， YAN Jun-chao， LI Yan. Modeling and Simulation of Micro-cutting Mechanism of Single Crystal SiC by Molecular Dynamics[J]. Acta Armamentarii, 2018, 39(8): 1648-1654.

参考文献

［1］ Goel S，Luo X C，Reuben R L. Molecular dynamics simulation model for the quantitative assessment of tool wear during single point diamond turning of cubic silicon carbide[J]. Computational Materials Science, 2012, 51(1): 402-408.
[2］ Goel S，Luo X C，Reuben R L，et al. Influence of temperature and crystal orientation on tool wear during single point diamond turning of silicon[J]. Wear, 2012, 284/285: 65-72.
[3］ Cheng K，Huo D H. Micro-cutting: fundamentals and applications[M]. Chichester, UK: John Wiley & Sons, 2013: 124-137.
[4］ McGeough J A. Micromachining of engineering materials[M]. New York, NY, US: CRC Press, 2001: 63-83.
[5］ Lee J G. Computational materials science: an introduction[M]. 2nd ed. New York, NY, US: CRC Press, 2016: 11-46.
[6］朱朋哲. 纳米尺度接触和摩擦的分子动力学及多尺度模拟研究[D].北京：清华大学, 2010.
ZHU Peng-zhe. Molecular dynamics and multiscale simulation of contact and friction on the nanoscale[D]. Beijing：Tsinghua University,2010. (in Chinese)
[7］罗熙淳，梁迎春，董申，等. 单晶硅纳米加工机理的分子动力学研究[J]. 航空精密制造技术, 2000,36（3）: 21-24.
LUO Xi-chun, LIANG Ying-chun, DONG Shen，et al. Molecular dynamics study on cutting mechanism of defect-free monocrystalline silicon[J]. Aviation Precision Manufacturing Technology, 2000,36（3）: 21-24. (in Chinese)
[8］罗熙淳，李广慧，梁迎春, 等. 分子动力学在单点金刚石超精密车削机理研究中的应用[J]. 工具技术, 2000, 34(4): 3-7.
LUO Xi-chun, LI Guang-hui, LIANG Ying-chun，et al. Applications of molecular dynamics in study of cutting mechanism of single point diamond ultra-precision turning [J]. Tool Engineering, 2000, 34(4): 3-7. (in Chinese)
[9］ Chavoshi S Z，Xu S Z，Luo X C. Dislocation-mediated plasticity in silicon during nanometric cutting: a molecular dynamics simulation study[J]. Materials Science in Semiconductor Processing, 2016, 51: 60-70.

[10］ Chavoshi S Z，Luo X C. Molecular dynamics simulation study of deformation mechanisms in 3C-SiC during nanometric cutting at elevated temperatures[J]. Materials Science and Engineering：A， 2016, 654: 400-417.
[11］ Chavoshi S Z，Luo X C. An atomistic simulation investigation on chip related phenomena in nanometric cutting of single crystal silicon at elevated temperatures[J]. Computational Materials Science, 2016, 113: 1-10.
[12］ Chavoshi S Z，Goel S，Luo X C. Molecular dynamics simulation investigation on the plastic flow behaviour of silicon during nanometric cutting[J]. Modelling and Simulation in Materials Science and Engineering, 2016, 24(1): 015002.
[13］ Chavoshi S Z，Goel S，Luo X C. Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: a molecular dynamics simulation investigation[J]. Journal of Manufacturing Processes, 2016, 23: 201-210.
[14］ Lin Y C，Shiu Y C. Effect of crystallographic orientation on single crystal copper nanogrooving behaviors by MD method[J]. The International Journal of Advanced Manufacturing Technology, 2017, 89(9/10/11/12): 3207-3215.
[15］ Wang Z G，Chen J X，Wang G L，et al. Anisotropy of single-crystal silicon in nanometric cutting[J]. Nanoscale Research Letters, 2017, 12(1): 300.
[16］ Xiao G B，To S，Zhang G Q. The mechanism of ductile deformation in ductile regime machining of 6H SiC[J]. Computational Materials Science, 2015, 98: 178-188.
[17］唐玉兰，梁迎春，霍德鸿，等. 基于分子动力学单晶硅纳米切削机理研究[J]. 微细加工技术, 2003 (2): 76-80.
TANG Yu-lan, LIANG Ying-chun, HUO De-hong, et al. Study on nanometric cutting mechanism of monocrystalline silicon by molecular dynamics[J]. Microfabrication Technology, 2003（2）: 76- 80. (in Chinese)
[18］唐玉兰，梁迎春，程凯. 纳米切削分子动力学仿真的研究进展[J]. 系统仿真学报, 2004, 16(4): 745-748，766.
TANG Yu-lan, LIANG Ying-chun, CHENG Kai. Advances in the study of nanometric cutting by molecular dynamics simulation[J]. Journal of System Simulation, 2004,16(4): 745-748，766. (in Chinese)
[19］唐玉兰, 胡适, 王东旭,等. 纳米工程中大规模分子动力学仿真算法的研究进展[J]. 机械工程学报, 2008, 44(2):8-15.
TANG Yu-lan, HU Shi, WANG Dong-xu, et al. Development of research in large-scale molecular dynamics algorithm for nano-engineering[J]. Chinese Journal of Mechanical Engineering, 2008, 44(2): 8-15. (in Chinese)
[20］ Plimpton S. Fast parallel algorithms for short-range molecular dynamics[J]. Journal of Computational Physics, 1995, 117(1): 1-19.
[21］ Humphrey W，Dalke A，Schulten K.VMD: visual molecular dynamics[J]. Journal of Molecular Graphics, 1996, 14(1): 33-38.
[22］ Stukowski A. Visualization and analysis of atomistic simulation data with OVITO-the open visualization tool[J]. Modelling and Simulation in Materials Science and Engineering, 2010, 18(1): 015012.
[23］ Tersoff J. Empirical interatomic potential for silicon with improved elastic properties[J]. Physical Review B：Condensed Matter and Materials Physics, 1988, 38(14):9902-9905.
[24］ Tersoff J. Modeling solid-state chemistry: interatomic potentials for multicomponent systems[J]. Physical Review B：Condensed Matter and Materials Physics, 1989, 39(8):5566-5568.
[25］解令令. 基于分子动力学的多晶硅纳米切削加工机理研究[D]. 沈阳：沈阳航空航天大学, 2013.
XIE Ling-ling. Research on the nano-cutting mechanism of polysilicon based on molecular dynamics[D]. Shenyang：Shenyang Aerospace University,2013.（in Chinese）
[26］樊虎. 基于分子动力学的金属铝纳米切削过程研究[D]. 沈阳：沈阳航空航天大学, 2017.
FAN Hu. Study on nano-cutting process of aluminum based on molecular dynamics[D].Shenyang：Shenyang Aerospace University,2017. （in Chinese）
[27］张世良. 硅熔化与快速凝固过程的模拟研究[D]. 秦皇岛：燕山大学, 2010.
ZHANG Shi-liang. Simulation of melting and rapid solidification of silicon[D].Qinhuangdao：Yanshan University,2010.（in Chinese）

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