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01-12-2021 | Original Paper

Atomic Simulations of Deformation Mechanism of 3C-SiC Polishing Process with a Rolling Abrasive

Authors: Zhihua Yin, Pengzhe Zhu, Baozhen Li, Yimeng Xu, Rao Li

Published in: Tribology Letters | Issue 4/2021

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Abstract

In the present study, molecular dynamics (MD) simulations are applied to investigate the polishing process of cubic silicon carbide (3C-SiC) with a rotating abrasive. The influence of abrasive rotational speed and rotation axis orientation on the friction characteristics and deformation behaviors of 3C-SiC is studied. The results show that as the rotational speed increases, the normal force first increases until it reaches its maximum at 25 rad/ns and then decreases. The evolution of transverse force with the rotational speed is more complicated and the smallest transverse force and friction coefficient are obtained at the rotational speed of 50 rad/ns. Besides, the transverse force increases while the normal force decreases with the rotation angle when the angular velocity vector of the rotational abrasive is parallel to the substrate surface. The case when the rotational speed is 25 rad/ns and the rotation angle is 0 is a significant critical situation. At the critical situation, we observe the lowest material removal rate, the deepest subsurface damage layer, the biggest high stress region and the smallest high temperature region for all rotational speeds and rotation axis orientations. Moreover, in the simulations, phase transformation (mainly amorphization) induced by high pressure is more pronounced than that by thermal effect. The results gained can shed light on the atomic-scale material removal and deformation mechanisms of 3C-SiC during polishing process.

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Wu, R.B., Zhou, K., Yue, C.Y., Wei, J., Pan, Y.: Recent progress in synthesis, properties and potential applications of SiC nanomaterials. Prog. Mater. Sci. 72, 1–60 (2015). https://doi.org/10.1016/j.pmatsci.2015.01.003CrossRef

Tanaka, H.: Silicon carbide powder and sintered materials. J. Ceram. Soc. Jpn. 119, 218–233 (2011). https://doi.org/10.2109/jcersj2.119.218CrossRef

Zhu, B., Zhao, D., Zhao, H.: A study of deformation behavior and phase transformation in 4H-SiC during nanoindentation process via molecular dynamics simulation. Ceram. Int. 45(4), 5150–5157 (2019). https://doi.org/10.1016/j.ceramint.2018.10.261CrossRef

Yan, J.W., Gai, X.H., Harada, H.: Subsurface damage of single crystalline silicon carbide in nanoindentation tests. J. Nanosci. Nanotechnol. 10(11), 7808–7811 (2010). https://doi.org/10.1166/jnn.2010.2895CrossRef

Luo, Q., Lu, J., Xu, X.: Study on the processing characteristics of SiC and sapphire substrates polished by semi-fixed and fixed abrasive tools. Tribol. Int. 104, 191–203 (2016). https://doi.org/10.1016/j.triboint.2016.09.003CrossRef

Zhao, L., Zhang, J.J., Pfetzing, J., Alam, M., Hartmair, A.: Depth-sensing ductile and brittle deformation in 3C-SiC under Berkovich nanoindentation. Mater. Des. 197, 109223 (2020). https://doi.org/10.1016/j.matdes.2020.109223CrossRef

Nguyen, V.T., Fang, T.H.: Material removal and interactions between an abrasive and a SiC substrate: a molecular dynamics simulation study. Ceram. Int. 46(5), 5623–5633 (2020). https://doi.org/10.1016/j.ceramint.2019.11.006CrossRef

Luo, J.F., Dornfeld, D.A.: Material removal mechanism in chemical mechanical polishing: theory and modeling. IEEE Trans. Semicond. Manuf. 14(2), 112–133 (2001). https://doi.org/10.1109/66.920723CrossRef

Shi, X., Pan, G., Zhou, Y., Xu, L., Zou, C., Gong, H.: A study of chemical products formed on sapphire (0001) during chemical–mechanical polishing. Surf. Coat. Technol. 270, 206–220 (2015). https://doi.org/10.1016/j.surfcoat.2015.02.053CrossRef

10.

Chagarov, E., Adams, J.B.: Molecular dynamics simulations of mechanical deformation of amorphous silicon dioxide during chemical–mechanical polishing. J. Appl. Phys. 94, 3853–3861 (2003). https://doi.org/10.1063/1.1602551CrossRef

11.

Han, X.: Study micromechanism of surface planarization in the polishing technology using numerical simulation method. Appl. Surf. Sci. 253(14), 6211–6216 (2007). https://doi.org/10.1016/j.apsusc.2007.01.115CrossRef

12.

Mishra, M., Szlufarska, I.: Dislocation controlled wear in single crystal silicon carbide. J. Mater. Sci. 48, 1593–1603 (2013). https://doi.org/10.1007/s10853-012-6916-yCrossRef

13.

Zhou, P., Shi, X.D., Li, J., Sun, T., Zhu, Y.W., Wang, Z.K., Chen, J.P.: Molecular dynamics simulation of SiC removal mechanism in a fixed abrasive polishing process. Ceram. Int. 45, 14614–14624 (2019). https://doi.org/10.1016/j.ceramint.2019.04.180CrossRef

14.

Meng, B.B., Yuan, D.D., Xu, S.L.: Coupling effect on the removal mechanism and surface/subsurface characteristics of SiC during grinding process at the nanoscale. Ceram. Int. 45(2), 2483–2491 (2019). https://doi.org/10.1016/j.ceramint.2018.10.175CrossRef

15.

Goel, S., Stukowski, A., Luo, X.C., Agrawal, A., Reuben, R.L.: Anisotropy of single- crystal 3C–SiC during nanometric cutting. Model. Simul. Mater. Sc. 21, 065004 (2013). https://doi.org/10.1088/0965-0393/21/6/065004CrossRef

16.

Meng, B.B., Yuan, D.D., Xu, S.L.: Study on strain rate and heat effect on the removal mechanism of SiC during nano-scratching process by molecular dynamics simulation. Int. J. Mech. Sci. 151, 724–732 (2019). https://doi.org/10.1016/j.ijmecsci.2018.12.022CrossRef

17.

Zhao, L., Alam, M., Zhang, J.J., Janisch, R., Hartmaier, A.: Amorphization-governed elasto-plastic deformation under nanoindentation in cubic (3C) silicon carbide. Ceram. Int. 46, 12470–12479 (2020). https://doi.org/10.1016/j.ceramint.2020.02.009CrossRef

18.

Tian, Z.G., Xu, X.P., Jiang, F., Lu, J., Luo, Q.F., Li, J.M.: Study on nanomechanical properties of 4H-SiC and 6H-SiC by molecular dynamics simulations. Ceram. Int. 45, 21998–22006 (2019). https://doi.org/10.1016/j.ceramint.2019.07.214CrossRef

19.

Liu, B., Xu, Z.W., Wang, Y., Gao, X., Kong, R.J.: Effect of ion implantation on material removal mechanism of 6H-SiC in nano-cutting: a molecular dynamics study. Comput. Mater. Sci. 174, 109476 (2020). https://doi.org/10.1016/j.commatsci.2019.109476CrossRef

20.

Xiao, G.B., To, S., Zhang, G.Q.: The mechanism of ductile deformation in ductile regime machining of 6H SiC. Comput. Mater. Sci. 98, 178–188 (2015). https://doi.org/10.1016/j.commatsci.2014.10.045CrossRef

21.

Si, L.N., Guo, D., Luo, J.B., Lu, X.C., Xie, G.X.: Abrasive rolling effects on material removal and surface finish in chemical mechanical polishing analyzed by molecular dynamics simulation. J. Appl. Phys. 109, 084335 (2011). https://doi.org/10.1063/1.3575177CrossRef

22.

Si, L.N., Guo, D., Luo, J.B., Xie, G.X.: Planarization process of single crystalline silicon asperity under abrasive rolling effect studied by molecular dynamics simulation. Appl. Phys. A 109(1), 119–126 (2012). https://doi.org/10.1007/s00339-012-7026-zCrossRef

23.

Nguyen, V.T., Fang, T.H.: Material removal and wear mechanism in abrasive polishing of SiO2/SiC using molecular dynamics. Ceram. Int. 46, 21578–21595 (2020). https://doi.org/10.1016/j.ceramint.2020.05.263CrossRef

24.

Nguyen, V.T., Fang, T.H.: Abrasive mechanisms and interfacial mechanics of amorphous silicon carbide thin films in chemical-mechanical planarization. J. Alloy Compd. 845, 156100 (2020). https://doi.org/10.1016/j.jallcom.2020.156100CrossRef

25.

Yang, T.H., Zhao, H.W., Zhang, L., Shao, M.K., Liu, H.D., Huang, H.: Molecular dynamics simulation of self-rotation effects on ultra-precision polishing of single-crystal copper. AIP Adv. 3(10), 102106 (2013). https://doi.org/10.1063/1.4824625CrossRef

26.

Luo, X.C., Goel, S., Reuben, R.L.: A quantitative assessment of nanometric machinability of major polytypes of single crystal silicon carbide. J. Eur. Ceram. Soc. 32, 3423–3434 (2012). https://doi.org/10.1016/j.jeurceramsoc.2012.04.016CrossRef

27.

Systèmes, D.: Materials Studio 2018. BIOVIA, San Diego (2018)

28.

Zhu, P.Z., Fang, F.Z.: Molecular dynamics simulations of nanoindentation of monocrystalline germanium. Appl. Phys. A 108, 415–421 (2012). https://doi.org/10.1007/s00339-012-6901-yCrossRef

29.

Zhou, C., Shan, L., Hight, J.R., et al.: Influence of colloidal abrasive size on material removal rate and surface finish in SiO2 chemical mechanical polishing. Tribol. Trans. 45(2), 232–238 (2002). https://doi.org/10.1080/10402000208982545CrossRef

30.

Zhu, P.Z., Qiu, C., Fang, F.Z., Yuan, D.D., Shen, X.C.: Molecular dynamics simulations of nanometric cutting mechanisms of amorphous alloy. Appl. Surf. Sci. 317, 432–442 (2014). https://doi.org/10.1016/j.apsusc.2014.08.031CrossRef

31.

Sarikov, A., Marzegalli, A., Barbisan, L., Scalise, E., Montalenti, F., Miglio, L.: Molecular dynamics simulations of extended defects and their evolution in 3C–SiC by different potentials. Modell. Simul. Mater. Sci. Eng. 28, 015002 (2020). https://doi.org/10.1088/1361-651X/ab50c7CrossRef

32.

Chavoshi, S.Z., Luo, X.: Molecular dynamics simulation study of deformation mechanisms in 3C–SiC during nanometric cutting at elevated temperatures. Mater. Sci. Eng. A 654, 400–417 (2016). https://doi.org/10.1016/j.msea.2015.11.100CrossRef

33.

Erhart, P., Albe, K.: Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide. Phys. Rev. B 71, 35211 (2005). https://doi.org/10.1103/PhysRevB.71.035211CrossRef

34.

Shi, X.L., Pan, G.S., Zhou, Y., Zou, C.L., Gong, H.: Extended study of the atomic step-terrace structure on hexagonal SiC (0 0 0 1) by chemical-mechanical planarization. Appl. Surf. Sci. 284, 195–206 (2013). https://doi.org/10.1016/j.apsusc.2013.07.080CrossRef

35.

Stokbro, K., Nielsen, E., Hult, E., et al.: Nature of bonding forces between two hydrogen-passivated silicon wafers. Phys. Rev. B 58(24), 16118 (1998). https://doi.org/10.1103/PhysRevB.58.16118CrossRef

36.

Ho, Y.H., Chiu, Y.H., Lu, J.M., Lin, M.F.: Low-energy electronic structures of nanotube–graphene hybrid carbon systems. Physica E 42, 744–747 (2010). https://doi.org/10.1016/j.physe.2009.10.043CrossRef

37.

Inui, N., Iwasaki, S.: Interaction energy between graphene and a silicon substrate using pairwise summation of the Lennard-Jones potential. e-J. Surf. Sci. Nanotechnol. 15, 40–49 (2017). https://doi.org/10.1380/ejssnt.2017.40CrossRef

38.

Homma, Y., Fukushima, K., Kondo, S., Sakuma, N.: Effects of mechanical parameters on CMP characteristics analyzed by two-dimensional frictional-force measurement. J. Electrochem. Soc. 150(12), G751 (2003). https://doi.org/10.1149/1.1619990CrossRef

39.

Salinas Ruiz, V.R., Kuwahara, T., Galipaud, J., et al.: Interplay of mechanics and chemistry governs wear of diamond-like carbon coatings interacting with ZDDP-additivated lubricants. Nat Commun 12, 4550 (2021). https://doi.org/10.1038/s41467-021-24766-6CrossRef

40.

Terrell, E.J., Higgs, C.F., III.: A Modeling approach for predicting the abrasive particle motion during chemical mechanical polishing. ASME. J. Tribol. 129(4), 933–941 (2007). https://doi.org/10.1115/1.2768614CrossRef

41.

Ilie, F.: Models of nanoparticles movement, collision, and friction in chemical mechanical polishing (CMP). J Nanopart Res. 14, 752 (2012). https://doi.org/10.1007/s11051-012-0752-5CrossRef

42.

Zhou, Y., Luo, H., Pan, G., et al.: Study on pad performance deterioration in chemical mechanical polishing (CMP) of fused silica. ECS J. Solid State Sci. Technol. 7(6), P295 (2018). https://doi.org/10.1149/2.0011806jssCrossRef

43.

Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117(1), 1–19 (1995). https://doi.org/10.1006/jcph.1995.1039CrossRef

44.

Nguyen, V.T., Fang, T.H.: Material removal and interactions between an abrasive and a SiC substrate: a molecular dynamics simulation study. Ceram. Int. 46, 5623–5633 (2020). https://doi.org/10.1016/j.ceramint.2019.11.006CrossRef

45.

Stukowski, A.: Visualization and analysis of atomistic simulation data with OVITO-the open visualization tool. Model. Simul. Mater. Sci. Eng. 18, 015012 (2009). https://doi.org/10.1088/0965-0393/18/1/015012CrossRef

46.

Li, J., Fang, Q.H., Zhang, L.C., Liu, Y.W.: Subsurface damage mechanism of high speed grinding process in single crystal silicon revealed by atomistic simulations. Appl. Surf. Sci. 324, 464–474 (2015). https://doi.org/10.1016/j.apsusc.2014.10.149CrossRef

47.

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. Comput. Mater. Sci. 51(1), 402–408 (2012). https://doi.org/10.1016/j.commatsci.2011.07.052CrossRef

48.

Li, B.Z., Li, J.Y., Zhu, P.Z., Xu, J.H., Li, R., Yu, J.X.: Influence of crystal anisotropy on deformation behaviors in nanoscratching of AlN. Appl. Surf. Sci. 487, 1068–1076 (2019). https://doi.org/10.1016/j.apsusc.2019.05.218CrossRef

49.

Liu, Y., Li, B.Z., Kong, L.F.: Molecular dynamics simulation of silicon carbide nanoscale material removal behavior. Ceram. Int. 44, 11910–11913 (2018). https://doi.org/10.1016/j.ceramint.2018.03.195CrossRef

50.

Sun, S., Peng, X.H., Xiang, H.G., Huang, C., Yang, B., Gao, F.S.: Molecular dynamics simulation in single crystal 3C-SiC under nanoindentation: formation of prismatic loops. Ceram. Int. 43, 16313–16318 (2017). https://doi.org/10.1016/j.ceramint.2017.09.003CrossRef

51.

Maras, E., Trushin, O., Stukowski, A., et al.: Global transition path search for dislocation formation in Ge on Si (001). Comput. Phys. Commun. 205, 13–21 (2016). https://doi.org/10.1016/j.cpc.2016.04.001CrossRef

52.

Stukowski, A., Bulatov, V.V., Arsenlis, A.: Automated identification and indexing of dislocations in crystal interfaces. Model. Simul. Mater. Sci. Eng. 20, 085007 (2012). https://doi.org/10.1016/j.cpc.2016.04.001CrossRef

53.

Liu, C.L., He, W.B., Chu, J.N., Zhang, J.G., Chen, X., Xiao, J.F., Xu, J.F.: Molecular dynamics simulation on cutting mechanism in the hybrid machining process of single-crystal silicon. Nanoscale Res. Lett. 16, 66 (2021). https://doi.org/10.1186/s11671-021-03526-xCrossRef

54.

Cai, M.B., Li, X.P., Rahman, M.: Study of the mechanism of nanoscale ductile mode cutting of silicon using molecular dynamics simulation. Int. J. Mach. Tools Manuf. 47, 75–80 (2007). https://doi.org/10.1016/j.ijmachtools.2006.02.016CrossRef

55.

Xiao, G., To, S., Zhang, G.: Molecular dynamics modelling of brittle–ductile cutting mode transition: case study on silicon carbide. Int. J. Mach. Tool. Manuf. 88, 214–222 (2015). https://doi.org/10.1016/j.ijmachtools.2014.10.007CrossRef

56.

Zhu, P.Z., Hu, Y.Z., Ma, T.B., Wang, H.: Molecular dynamics study on friction due to ploughing and adhesion in nanometric scratching process. Tribol. Lett. 41, 41–46 (2011). https://doi.org/10.1007/s11249-010-9681-6CrossRef

57.

Zhu, P.Z., Hu, Y.Z., Wang, H., Ma, T.B.: Study of AFM-based nanometric cutting process using molecular dynamics. Appl. Surf. Sci. 256, 7160–7165 (2010). https://doi.org/10.1016/j.apsusc.2010.05.044CrossRef

58.

Zhou, P., Li, J., Wang, Z.K., Chen, J.P., Li, X., Zhu, Y.W.: Molecular dynamics study of the removal mechanism of SiC in a fixed abrasive polishing in water lubrication. Ceram. Int. 46, 24961–24974 (2020). https://doi.org/10.1016/j.ceramint.2020.06.282CrossRef

59.

Cross Graham, L.W.: Silicon nanoparticles: isolation leads to change. Nat. Nanotechnol. 6, 467–468 (2011). https://doi.org/10.1038/nnano.2011.124CrossRef

60.

Zhao, L., Zhang, J.J., Zhang, J.G., Hartmaier, A.: Atomistic investigation of machinability of monocrystalline 3C–SiC in elliptical vibration-assisted diamond cutting. Ceram. Int. 47, 2358–2366 (2020). https://doi.org/10.1016/j.ceramint.2020.09.078CrossRef

61.

Gao, Y., Brodyanski, A., Kopnarski, M., Urbassek, H.M.: Nanoscratching of iron: a molecular dynamics study of the influence of surface orientation and scratching direction. Comput. Mater. Sci. 103, 77–89 (2015). https://doi.org/10.1016/j.commatsci.2015.03.011CrossRef

62.

Alhafez, I.A., Ruestes, C.J., Bringa, E.M., Urbassek, H.M.: Indentation and scratching of iron by a rotating tool -a molecular dynamics study. Comput. Mater. Sci. 194, 110445 (2021). https://doi.org/10.1016/j.commatsci.2021.110445CrossRef

63.

Yin, Z.H., Zhu, P.Z., Li, B.Z.: Study of nanoscale wear of SiC/Al nanocomposites using molecular dynamics simulations. Tribol. Lett. 69, 38 (2021). https://doi.org/10.1007/s11249-021-01414-0CrossRef

64.

Yoshida, M., Onodera, A., Ueno, M., Takemura, K., Shimomua, O.: Pressure-induced phase transition in SiC. Phys. Rev. B 48(14), 10587–10590 (1993). https://doi.org/10.1103/PhysRevB.48.10587CrossRef

65.

Yoo, W.S., Nishino, S., Matsunami, H.: Single crystal growth of hexagonal SiC on cubic SiC by intentional polytype control. J. Cryst. Growth 99, 278–283 (1990). https://doi.org/10.1016/0022-0248(90)90527-RCrossRef

66.

Xiao, H., Wu, H., Chi, X.: SCE: Grid Environment for Scientific Computing. In: Vicat-Blanc Primet, P., Kudoh, T., Mambretti, J. (Eds) Networks for Grid Applications. GridNets 2008. Lecture Notes of the Institute for Computer Sciences, Social Informatics and Telecommunications Engineering, Vol. 2. Springer, Berlin (2009). https://doi.org/10.1007/978-3-642-02080-3_4

Title: Atomic Simulations of Deformation Mechanism of 3C-SiC Polishing Process with a Rolling Abrasive
Authors: Zhihua Yin
Pengzhe Zhu
Baozhen Li
Yimeng Xu
Rao Li
Publication date: 01-12-2021
Publisher: Springer US
Published in: Tribology Letters / Issue 4/2021
Print ISSN: 1023-8883
Electronic ISSN: 1573-2711
DOI: https://doi.org/10.1007/s11249-021-01526-7

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