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Chin. Phys. B, 2021, Vol. 30(8): 080205    DOI: 10.1088/1674-1056/abfbd6
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Atomistic simulations of the lubricative mechanism of a nano-alkane lubricating film between two layers of Cu-Zn alloy

Jing Li(李京)1,2, Peng Zhu(朱鹏)1,2, Yuan-Yuan Sheng(盛圆圆)1,2, Lin Liu(刘麟)1,2,†, and Yong Luo(罗勇)3
1 School of Mechanical Engineering and Rail Transit, Changzhou University, Changzhou 213164, China;
2 Jiangsu Key Laboratory of Green Process Equipment, Changzhou University, Changzhou 213164, China;
3 School of Materials Science and Physics, University of Mining and Technology, Xuzhou 221116, China
Abstract  We describe simulations of lubrication by a hexadecane molecular lubricating film during the shearing process of a Cu-Zn alloy performed using the atomistic method. The results indicate that with increasing Zn contents, the interface slip between the alloy wall and the lubricating film first decreases and then increases, according to variations of the radius distribution function (RDF), while the interface slip reaches its lowest value of 0.12 during the shearing of CuZn30 alloy. We also discuss the relationship between interface roughness and the lubricating film. During film lubrication, the interface's roughness effectively inhibits interfacial slip. For the convex contact model, the presence of the hexadecane lubricating film reduces the interfacial contact pressure from 11.9 GPa to 8.7 GPa and the friction coefficient from 0.81 to 0.52.
Keywords:  molecular dynamic simulation      nanotribology      Cu-Zn alloy      interface slip  
Received:  19 January 2021      Revised:  16 April 2021      Accepted manuscript online:  27 April 2021
PACS:  02.70.Ns (Molecular dynamics and particle methods)  
  68.35.Af (Atomic scale friction)  
  68.35.-p (Solid surfaces and solid-solid interfaces: structure and energetics)  
  73.43.Cd (Theory and modeling)  
Fund: Project supported by the Natural Science Foundation of Jiangsu Higher Education Institutions (Grant No. 17KJA460002) and the "Six Talent Peaks" of Jiangsu Province, China (Grant No. GDZB-002).
Corresponding Authors:  Lin Liu     E-mail:  liulin@cczu.edu.cn

Cite this article: 

Jing Li(李京), Peng Zhu(朱鹏), Yuan-Yuan Sheng(盛圆圆), Lin Liu(刘麟), and Yong Luo(罗勇) Atomistic simulations of the lubricative mechanism of a nano-alkane lubricating film between two layers of Cu-Zn alloy 2021 Chin. Phys. B 30 080205

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