Microstructure Evolution and Plastic Removal for Single Crystal Nickel Induced by Particle Scratching: Atomic Simulation Method

doi:10.11901/1005.3093.2021.166

Chinese Journal of Materials Research

2022, Vol. 36

Issue (7): 511-518 DOI: 10.11901/1005.3093.2021.166

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Microstructure Evolution and Plastic Removal for Single Crystal Nickel Induced by Particle Scratching: Atomic Simulation Method

CHEN Jingjing¹(

), QIU Xiaolin², LI Ke¹, YUAN Junjun¹, ZHOU Dan¹, LIU Yiwei¹

^1.School of Mechanical and Electrical Engineering, Nanchang Institute of Technology, Nanchang 330044, China
^2.College of Electrical and Mechanical Engineering, Key Laboratory of Optoelectronic Material of Jiangxi Province, Nanchang 330044, China

Cite this article:

CHEN Jingjing, QIU Xiaolin, LI Ke, YUAN Junjun, ZHOU Dan, LIU Yiwei. Microstructure Evolution and Plastic Removal for Single Crystal Nickel Induced by Particle Scratching: Atomic Simulation Method. Chinese Journal of Materials Research, 2022, 36(7): 511-518.

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Abstract

The microstructure evolution and plastic removal induced by particle scratching for single crystal nickel were investigated by means of molecular dynamics simulation at the atomic level, meanwhile, the characteristics of microstructure evolution and the difference of plastic removal of different crystal surfaces were analyzed. The results show that the stress concentration in the close contact zone is not only the motivity for dislocation slip of single crystal nickel, but also the main cause of the transition from FCC structure to HCP structure and the plastic removal of the material. During abrasive particle scraping, the maximum horizontal tangential force appears on the Ni(110) crystal surface, correspondingly, the HCP structure with horizontal slip characteristics may form in the Ni(110) crystal plane, as a result, the dislocation slip may mainly be responsible to that the quantity of debris on the Ni(100) plane is more than that on the Ni(111) plane. Therefore, by the same level of particle scraping, the hysteresis of plastic ring abscission on Ni(110) crystal surface may emerge. At the same time, both the occurrence of stacking fault and the shear strain of the worn surface show remarkable crystal facet selectivity. Compared with the case of sliding scraping, the nickel atoms adhere to the outer surface of the abrasive particles significantly during rolling scraping, which is the main reason for the large oscillation of the tangential force during the scraping process.

Key words: metallic materials nickel substrate mmicro-structure evolution plastic loop atomic simulation plastic removal

Received: 05 March 2021

ZTFLH:

TH117

Fund: University-level Research Center of Friction and Wear and Protective Lubrication of Mechanical Table Interface, Nanchang Institute of Technology, and Science and Technology Research Project of Educa-tion Department of Jiangxi Province(GJJ212101);University-level Research Center of Friction and Wear and Protective Lubrication of Mechanical Table Interface, Nanchang Institute of Technology, and Science and Technology Research Project of Educa-tion Department of Jiangxi Province(GJJ219310);Nanchang Key Laboratory Construction Project of Jiangxi Province(2020-NCZDSY-005)

About author: CHEN Jingjing, Tel: 15750843783, E-mail: chenjingjingfzu@126.com

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	Jingjing CHEN
	Xiaolin QIU
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	Junjun YUAN
	Dan ZHOU
	Yiwei LIU

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https://www.cjmr.org/EN/10.11901/1005.3093.2021.166 OR https://www.cjmr.org/EN/Y2022/V36/I7/511

Fig.1 Atomic scale physical model between rigid abrasive particle and nickel-based (a) 3D model in horizontal scratch process, (b) YZ plane model in grinding scratch process

Table 1 Set of molecular dynamics parameters

Fig.2 Shear strain of different crystal surfaces of nickel specimens at a sliding distance of 8 nm

Fig.3 Snapshot of the scratch-induced shear strain for Ni(111) at different temperatures (a) top view; (b) front view

Fig.4 Variation ofchip-atoms number (a) and tangential force on Ni specimens with different crystal face with sliding distance (b), variation of chip-atoms number (c) and tangential force on Ni specimen at different temperatures (d)

Fig.5 Radial distribution function of single nickel after scratching at different temperatures (a), evolution of tangential forces under sliding and rolling actions (b) and morphologies of abrasive particles when scratching distance are 1.2 nm and 6 nm (c)

Fig.6 Evolution of micro-structure of different crystal faces scratch-induced in single crystal nickel

Fig.7 Evolution of micro-structures of different crystal faces scratch-induced in nickel specimens

Fig.8 Plastic deformation and removal of different crystal faces scratch-induced in nickel single crystal specimens

Fig.9 Relationship between HCP atomic ratio and (HCP+Other) total atom ratio and scratching distance

1	Priya B, Malhotra J. 5GAuNetS: an autonomous 5G network selection framework for Industry 4.0 [J]. Soft Comput., 2020, 24: 9507 doi: 10.1007/s00500-019-04460-y
2	Messaoud S, Bradai A, Moulay E. Online GMM clustering and mini-batch gradient descent based optimization for industrial IoT 4.0 [J]. IEEE Trans. Ind. Inform., 2020, 16: 1427
3	Niu Z C, Cheng K. An experimental investigation on surface generation in ultraprecision machining of particle reinforced metal matrix composites [J]. Int. J. Adv. Manuf. Technol., 2019, 105: 4499 doi: 10.1007/s00170-018-03256-y
4	Gao B, Zhai W J. Material removal rate of 4H-SiC polishing with polystyrene/CeO₂ core/shell abrasives [J]. ECS J. Solid State Sci. Technol., 2020, 9: 104001 doi: 10.1149/2162-8777/abba03
5	Zhao K, Aghababaei R. Interfacial plasticity controls material removal rate during adhesive sliding contact [J]. Phys. Rev. Mater., 2020, 4: 103605
6	Dong Y, Lei H, Liu W Q. Effect of mixed-shaped silica sol abrasives on surface roughness and material removal rate of zirconia ceramic cover [J]. Ceram. Int., 2020, 46: 23828 doi: 10.1016/j.ceramint.2020.06.159
7	Juan C C, Tsai M H, Tsai C W, et al. Simultaneously increasing the strength and ductility of a refractory high-entropy alloy via grain refining [J]. Mater. Lett., 2016, 184: 200 doi: 10.1016/j.matlet.2016.08.060
8	Jamie D G, Ryu I. Latent hardening/softening behavior in tension and torsion combined loadings of single crystal FCC micropillars [J]. Acta Mater., 2020, 190: 58 doi: 10.1016/j.actamat.2020.02.030
9	Lee S, Aviral V, Im J, et al. In-situ observation of the initiation of plasticity by nucleation of prismatic dislocation loops [J]. Nat. Commun., 2020, 11: 2367 doi: 10.1038/s41467-020-15775-y
10	Xiang H G, Li H T, Fu T, et al. Formation of prismatic loops in AlN and GaN under nanoindentation [J]. Acta Mater., 2017, 138: 131 doi: 10.1016/j.actamat.2017.06.045
11	Wang J S, Zhang X D, Fang F Z, et al. A numerical study on the material removal and phase transformation in the nanometric cutting of silicon [J]. Appl. Surf. Sci., 2018, 455: 608 doi: 10.1016/j.apsusc.2018.05.091
12	Yue X M, Yang X D. Molecular dynamics simulation of material removal process and mechanism of EDM using a two-temperature model [J]. Appl. Surf. Sci., 2020, 528: 147009 doi: 10.1016/j.apsusc.2020.147009
13	Nguyen V T, Fang T H. Material removal and wear mechanism in abrasive polishing of SiO₂/SiC using molecular dynamics [J]. Ceram. Int., 2020, 46: 21578 doi: 10.1016/j.ceramint.2020.05.263
14	Liu Y, Li B Z, Kong L F. A molecular dynamics investigation into nanoscale scratching mechanism of polycrystalline silicon carbide [J]. Comput. Mater. Sci., 2018, 148: 76 doi: 10.1016/j.commatsci.2018.02.038
15	Wang G L, Feng Z J, Zheng Q C, et al. Molecular dynamics simulation of nano-polishing of single crystal silicon on non-continuous surface [J]. Mater. Sci. Semicond. Process., 2020, 118: 105168 doi: 10.1016/j.mssp.2020.105168
16	Lai M, Zhang X D, Fang F Z. Nanoindentation-induced phase transformation and structural deformation of monocrystalline germanium: a molecular dynamics simulation investigation [J]. Nanoscale Res. Lett., 2013, 8: 353 doi: 10.1186/1556-276X-8-353
17	Chen J J, Weng S B, Wu H. Effects of mechanism analysis for spherical contact pair on contact deformation in copper film from nano-perspective [J]. China Surf. Eng., 2021, 34(4): 99
	陈晶晶, 翁盛槟, 吴昊. 基于球面触点接触模式的铜膜纳观变形探析 [J]. 中国表面工程, 2021, 34(4): 99
18	Sharma A, Datta D, Balasubramaniam R. Molecular dynamics simulation to investigate the orientation effects on nanoscale cutting of single crystal copper [J]. Comput. Mater. Sci., 2018, 153: 241 doi: 10.1016/j.commatsci.2018.07.002
19	Liu B, Fang F Z, Li R, et al. Experimental study on size effect of tool edge and subsurface damage of single crystal silicon in nano-cutting [J]. Int. J. Adv. Manuf. Technol., 2018, 98: 1093 doi: 10.1007/s00170-018-2310-5
20	Imran M, Hussain F, Rashid M, et al. Molecular dynamics study of the mechanical characteristics of Ni/Cu bilayer using nanoindentation [J]. Chin. Phys., 2012, 21B: 126802
21	Foiles S M, Baskes M I, Daw M S. Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys [J]. Phys. Rev., 1988, 33B: 10378
22	Morse P M. Diatomic molecules according to the wave mechanics. Ⅱ: Vibrational levels [J]. Phys. Rev., 1929, 34: 57 doi: 10.1103/PhysRev.34.57
23	Qian Y, Shang F L, Wan Q, et al. A molecular dynamics study on indentation response of single crystalline wurtzite GaN [J]. J. Appl. Phys., 2018, 24: 115102
24	Li Y C, Jiang W G, Zhou Y. Molecular dynamics simulation on shear mechanical properties of single crystal/polycrystalline Ni composites [J]. Chin. J. Nonferrous Met., 2020, 30: 1837
	李源才, 江五贵, 周宇. 单晶/多晶镍复合体剪切过程分子动力学模拟 [J]. 中国有色金属学报, 2020, 30: 1837
25	Guo J, Chen J J, Wang Y Q. Temperature effect on mechanical response of c-plane monocrystalline gallium nitride in nanoindentation: A molecular dynamics study [J]. Ceram. Int., 2020, 46: 12686 doi: 10.1016/j.ceramint.2020.02.035
26	Zhang Z B, Yang Z B, Lu S, et al. Strain localisation and failure at twin-boundary complexions in nickel-based superalloys [J]. Nat. Commun., 2020, 11: 4890 doi: 10.1038/s41467-020-18641-z

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