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The movement pattern of ellipsoidal nanoparticles confined between copper surfaces was examined using a theoretical model and molecular dynamics simulation. Initially, we developed a theoretical model of movement patterns for hard ellipsoidal nanoparticles. Subsequently, the simulation indicated that there are critical values for increasing the axial ratio, driving velocity of the contact surface, and lowering normal loads (i.e., 0.83, 15 m/s, and 100 nN under the respective conditions), which in turn change the movement pattern of nanoparticles from sliding to rolling. Based on the comparison between the ratio of arm of force (e/h) and coefficient of friction (μ), the theoretical model was in good agreement with the simulations and accurately predicted the movement pattern of ellipsoidal nanoparticles. The sliding of the ellipsoidal nanoparticles led to severe surface damage. However, rolling separated the contact surfaces and thereby reduced friction and wear.


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Movement pattern of an ellipsoidal nanoparticle confined between solid surfaces: Theoretical model and molecular dynamics simulation

Show Author's information Junqin SHI1,2Xiangzheng ZHU1Kun SUN1Liang FANG1,3( )
State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China
State Key Laboratory of Solidification Processing, Center of Advanced Lubrication and Seal Materials, Northwestern Polytechnical University, Xi’an 710072, China
School of Mechanical and Electrical Engineering, Xiamen University Tan Kah Kee College, Zhangzhou 363105, China

Abstract

The movement pattern of ellipsoidal nanoparticles confined between copper surfaces was examined using a theoretical model and molecular dynamics simulation. Initially, we developed a theoretical model of movement patterns for hard ellipsoidal nanoparticles. Subsequently, the simulation indicated that there are critical values for increasing the axial ratio, driving velocity of the contact surface, and lowering normal loads (i.e., 0.83, 15 m/s, and 100 nN under the respective conditions), which in turn change the movement pattern of nanoparticles from sliding to rolling. Based on the comparison between the ratio of arm of force (e/h) and coefficient of friction (μ), the theoretical model was in good agreement with the simulations and accurately predicted the movement pattern of ellipsoidal nanoparticles. The sliding of the ellipsoidal nanoparticles led to severe surface damage. However, rolling separated the contact surfaces and thereby reduced friction and wear.

Keywords: molecular dynamics simulation, movement pattern, friction and wear reduction, ellipsoidal nanoparticle additive

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Publication history

Received: 13 March 2020
Revised: 26 April 2020
Accepted: 07 May 2020
Published: 11 September 2020
Issue date: October 2021

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© The author(s) 2020

Acknowledgements

The authors acknowledge the financial support from the National Natural Science Fundation of China (NSFC) (51905433), the National Key R&D Program of China (No. 2018YFB0703800), and the Fundamental Research Funds for the Central Universities (No. 3102019TS0405).

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