SiC硬脆材料纳米切削的亚表层损伤与塑性去除机理探析

doi:10.3969/j.issn.1004-132X.2025.10.019

摘要/Abstract

摘要：

采用分子动力学法与微观切削实验法对SiC塑性去除机理展开研究。研究发现，切削弹性期的SiC受挤压诱导产生的晶格高畸变效应导致原子矢量位移出现与切削运动方向相反的回流运动趋势，而切削中期弹塑性变形区的原子矢量位移出现涡流运动趋势。研究结果表明，分子动力学模拟的SiC纳米切削已加工表面的塑性变形介导的非晶层覆盖、立方结构向闪锌矿结构的相变转化、剪切带与裂纹形成同实验结果保持一致，已加工表面区的台阶式随机表面粗糙度随着切削温度和速度的增加而增大。切削塑性去除机理为：刀具和工件紧密接触区的高温高应力会诱使剪切带从前刀面流出，形成切削形貌构型。随着切削距离和切削速度的增加，亚表层损伤度逐渐减小，而随着切削温度和深度的增加，亚表层损伤度逐渐增大；随着切削速度的增加，切屑形貌由卷积形态逐渐变成条状形态；随着体系温度的上升，切屑形貌以卷积形态为主。

关键词: 微结构演化, 分子动力学模拟, 塑性去除, 相变转化, 硬脆材料

Abstract:

The plastic removal mechanism of SiC was investigated by molecular dynamics method and micro-cutting experiments. It is found that the high lattice distortion effectiveness of SiC materials induced by extrusion force may lead to the reverse flow trend of the atomic vector displacement in elastic stages during nanoscale cutting， and the eddy current trend of the atomic vector displacement occurs in elastoplasticity deformation stages. The plastic deformation-mediated amorphous layer coverages， the phase transformation from cubic structure to wurtzite structure， and the formation of shear bands and cracks on the machined surfaces of SiC nanocutting obtained from molecular dynamics simulations are consistent with the experimental results.The random surface roughness in machined surface areas is easy to form a stepped type， which increases as cutting temperature and speed increases. The plastic removal mechanism in nanocutting processes is that the high pressure and high temperature induced by loads in closely contact areas between cutting tool and SiC workpiece result in the shear band flow outflow from the rank face and the cutting morphology and configuration are formed finally. The subsurface damage degree gradually decreases with cutting distance and cutting speed increases. Nevertheless， the subsurface damage degree gradually increases with the increase of cutting temperature and depth. Furthermore， with cutting speed increase， chip morphology of SiC materials gradually changed from convolution state to bar state， and the chip morphology is of mainly convolution as the temperature of system increases.

Key words: micro-structural evolution, molecular dynamics simulation, plastic remove, phase transition, hard brittle material

中图分类号:

TH114.1

陈晶晶, 陈莎, 朱海燕, 袁军军, 罗泽宇. SiC硬脆材料纳米切削的亚表层损伤与塑性去除机理探析[J]. 中国机械工程, 2025, 36(10): 2312-2321.

Jingjing CHEN, Sha CHEN, Haiyan ZHU, Junjun YUAN, Zeyu LUO. Mechanism Analysis of Material Remove and Subsurface Layer Damages for SiC during Nanocutting Processes[J]. China Mechanical Engineering, 2025, 36(10): 2312-2321.

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链接本文: https://www.cmemo.org.cn/CN/10.3969/j.issn.1004-132X.2025.10.019

https://www.cmemo.org.cn/CN/Y2025/V36/I10/2312

图/表 13

图1 SiC纳米切削分子动力学模型

Fig.1 Molecular dynamic model of SiC material on nano cutting process

表1 SiC纳米切削仿真参数设置

Tab. 1 Simulation parameter setting of SiC material on nano cutting process

模拟条件	参数设置
模型尺寸L_X ×L_Y ×L_Z	5.3 nm×48 nm×23 nm
切削速度v	50，100，200，250，400 m/s
切削深度d	2.0，2.6，3.5，4.4 nm
半径R	2.5 nm
恒温层T	1，150，300，500，800 K
前角β	0°，15°，25°
后角α	0°，15°，25°
时间步长	1fs

图2 切削速度和切削深度对SiC水平切削力和法向力的影响

Fig.2 Effect of cutting speed and cutting depth on SiC horizontal cutting force and normal force

图3 刀具几何参数和温度对SiC水平切削力和法向力的影响

Fig.3 Effects of tool geometry parameters and temperature on SiC horizontal cutting force and normal force

图4 切削参数对SiC平均水平切削力和平均法向力的量化影响

Fig.4 Quantitative influence of cutting parameters on SiC mean cutting force and normal force

图5 切削参数对SiC硬脆材料微结构演化和亚表层损伤影响

Fig.5 Effect of cutting parameters on micro-structure evolution and subsurface damage of SiC

图6 切削参数对SiC硬脆材料径向分布函数影响

Fig.6 Effect of cutting parameters on radial distribution function of SiC with hard and brittle features

图7 SiC硬脆材料实验与模拟结果比对

Fig.7 Comparison of experimental and simulated results of SiC hard and brittle materials

图8 切削参数对SiC硬脆材料位错总长和温度影响

Fig.8 Effect of cutting parameters on dislocation length and temperature of SiC hard and brittle materials

图9 切削参数对SiC硬脆材料相变类型和位移幅度的影响

Fig.9 Effect of cutting parameters on phase transition and displacement amplitude of SiC hard and brittle materials

图10 切削参数对SiC硬脆材料原子迁移轨迹影响

Fig.10 Effect of cutting parameters on atomic migration trajectories of SiC hard and brittle materials

图11 切削参数对SiC硬脆材料切削方向的应力量化影响

Fig.11 Stress quantization effect of cutting parameters on cutting direction of SiC hard and brittle materials

图12 切削参数对SiC硬脆材料应力分布影响

Fig.12 Effect of cutting parameters on stress distribution of SiC hard and brittle materials

参考文献 25

[1]	GIORGIS F， GIULIANI F， PIRRI C F， et al. Wide Band Gap a-Si C：H Films for Optoelectronic Applications［J］. Journal of Non-crystalline Solids， 1998， 227（4）：465-469.
[2]	ZHANG Z， GUO B， WANG F. Evaluation of Switching Loss Contributed by Parasitic Ringing for Fast Switching Wide Band-gap Devices［J］. IEEE Transactions on Power Electronics， 2019， 34（9）：9082-9094.
[3]	YUN N， LYNCH J， SUNG W. Demonstration and Analysis of a 600 V， 10 A， 4H-SiC Lateral Single RESURF MOSFET for Power ICs Applications［J］. Applied Physics Letters， 2019， 114（19）：192104.
[4]	DEMENET J L， AMER M， TROMAS C. Dislocations in 4H-and 3C-SiC Single Crystals in the Brittle Regime［J］. Physics Status Solidi C， 2013， 10 （6）：64-67.
[5]	BAI S， DEVATY R P， CHOYKE W J， et al. Determination of the Electric Field in 4H/3C/4H-SiC Quantum Wells due to Spontaneous Polarization in the 4H SiC Matrix［J］. Applied Physics Letters， 2003， 83（15）：3171-3173.
[6]	NEUDECK， PHILIP G. Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices［J］. Materials Science Forum， 2000， 338（10）：1161-1166.
[7]	FENG A， MUNIR Z A. The Effect of an Electric Field on Self-sustaining Combustion Synthesis：Part II. Field-assisted Synthesis of μ-SiC［J］. Metallurgical and Materials Transactions B， 1995， 26（3）：587-593.
[8]	PATRICK L， CHOYKE W J. Static Dielectric Constant of SiC［J］. Physical Review. B， Condensed Matter， 1970， 2（6）：2255-2256.
[9]	FANG K L， TSUI B Y， YANG C C， et al. Electrical Instability of Low-dielectric Constant Diffusion Barrier Film （a-Si C：H） for Copper Interconnect［J］. IEEE Transactions on Electron Devices， 2001， 48（10）：2375-2383.
[10]	CHEN M H， DAI H F. Molecular Dynamics Study on Grinding Mechanism of Polycrystalline Silicon Carbide［J］. Diamond and Related Materials， 2022， 130：109541.
[11]	QU Z Z， WU W L， DAI H F. Quantitative Analysis of Grinding Performance of Cubic Silicon Carbide Surface Texture Lubricated with Water Film［J］. Tribology International， 2023， 180：108267.
[12]	AI T C， LIU J， QIU H J， et al. Removal Behavior and Performance Analysis of Defective Silicon Carbide in Nano-grinding［J］. Precision Engineering， 2021， 72：858-869.
[13]	MENG X S， WU W L， LIAO B K， et al. Atomic Simulation of Textured Silicon Carbide Surface Ultra-precision Polishing［J］. Ceramics International， 2022， 48：17034-17045.
[14]	TIAN Z， LU J， LUO Q， et al. Chemical Reaction on Silicon Carbide Wafer （0 0 0 1） and （0 0 0 -1） with Water Molecules in Nanoscale Polishing［J］. Applied Surface Science， 2023， 607：155090.
[15]	LIU Y， LI B Z， KONG L F. Molecular Dynamics Simulation of Silicon Carbide Nanoscale Material Removal Behaviour［J］. Ceramic International， 2018， 44：11910.
[16]	WU Z H， LIU W D， ZHANG L C. Revealing the Deformation Mechanisms of 6H-silicon Carbide under Nano-cutting［J］. Computer Material Science， 2017， 137：282.
[17]	XIAO G B， TO S， ZHANG G Q. Molecular Dynamics Modelling of Brittle-ductile Cutting Mode Transition：Case Study on Silicon Carbide［J］. International Journal of Machine Tools & Manufacture， 2015， 88：214-222.
[18]	TIAN Z G， XU X P， JIANG F， et.al. Study on Nanomechanical Properties of 4H-SiC and 6H-SiC by Molecular Dynamics Simulations［J］. Ceramic International， 2019， 45：21998-2006.
[19]	GOEL S， LUO X C， COMLEY P， et al. Brittle-ductile Transition during Diamond Turning of Single Crystal Silicon Carbide［J］. International Journal of Machine Tools & Manufacture， 2013， 65：15-21.
[20]	WANG J S， FANG F Z. Nanometric Cutting Mechanism of Silicon Carbide［J］. CIRP Annals—Manufacturing Technology， 2021， 70：29-32.
[21]	田东禹. 3C-SiC的SEM在线纳米切削机理研究［D］. 天津：天津大学，2020.
	TIAN Dongyu. Study on the SEM-based Online Nano-cutting Mechanism of 3C-SiC［D］. Tianjin：Tianjin University， 2020.
[22]	PIAO Z， TAO S， XUN S. Atomic-scale Study of Vacancy Defects in SiC Affecting on Removal Mechanisms during Nano-abrasion Process［J］.Tribology International， 2020， 145：106136.
[23]	AI T C， LIU J， QIU H J， et al. Removal Behavior and Performance Analysis of Defective Silicon Carbide in Nano-grinding［J］. Precision Engineering. 2021，72：858-869.
[24]	TIAN Z， CHEN X， XU X P， et al. Molecular Dynamics Simulation of the Material Removal in the Scratching of 4H-SiC and 6H-SiC Substrates［J］. International Journal of Extreme Manufacturing， 2020， 2：045104.
[25]	MENG B B， YUAN D D， ZHENG J， et al. Molecular Dynamics Study on Femtosecond Laser Aided Machining of Monocrystalline Silicon Carbide［J］. Material Science Semiconductor Processing， 2019， 101：1-9.