中国物理B ›› 2006, Vol. 15 ›› Issue (4): 818-821.doi: 10.1088/1009-1963/15/4/025

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Molecular dynamic simulation of lubricant spreading: effect from the substrate and endbead

李欣, 胡元中, 王慧, 杨冬   

  1. The State Key Laboratory of Tribology , Tsinghua University, Beijing 100084, China
  • 收稿日期:2005-11-24 修回日期:2005-12-26 出版日期:2006-04-20 发布日期:2006-04-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 50390060) and the State Key Development Program for Basic Research of China (Grant No 2003CB716201).

Molecular dynamic simulation of lubricant spreading: effect from the substrate and endbead

Li Xin (李欣), Hu Yuan-Zhong (胡元中), Wang Hui (王慧), Yang Dong (杨冬)   

  1. The State Key Laboratory of Tribology , Tsinghua University, Beijing 100084, China
  • Received:2005-11-24 Revised:2005-12-26 Online:2006-04-20 Published:2006-04-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 50390060) and the State Key Development Program for Basic Research of China (Grant No 2003CB716201).

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摘要： Molecular dynamic simulations based on a coarse-grained, bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether (PFPE) on solid substrates. For nonfunctional PFPE, the spreading generally exhibits a smooth profile with a precursor film. The spreading profiles on different substrates are compared, which indicate that the bead-substrate interaction has a significant effect on the spreading behaviour, especially on the formation of the precursor film. For functional PFPE, the spreading generally exhibits a complicated terraced profile. The spreading profiles with different endbeads are compared, which indicate that the endbead-substrate interaction and the endbead--endbead interaction, especially the latter, have a significant effect on the spreading behaviour.

Abstract: Molecular dynamic simulations based on a coarse-grained, bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether (PFPE) on solid substrates. For nonfunctional PFPE, the spreading generally exhibits a smooth profile with a precursor film. The spreading profiles on different substrates are compared, which indicate that the bead-substrate interaction has a significant effect on the spreading behaviour, especially on the formation of the precursor film. For functional PFPE, the spreading generally exhibits a complicated terraced profile. The spreading profiles with different endbeads are compared, which indicate that the endbead-substrate interaction and the endbead--endbead interaction, especially the latter, have a significant effect on the spreading behaviour.

Key words: perfluoropolyether, molecular dynamic simulation, thin film lubrication, spreading

中图分类号:  (Molecular dynamics and particle methods)

  • 02.70.Ns
68.15.+e (Liquid thin films) 68.60.Bs (Mechanical and acoustical properties)