| Molecular dynamic simulation of lubricant spreading： effect from the substrate and endbead |
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| 引用本文： | 李欣,胡元中,王慧,杨冬. Molecular dynamic simulation of lubricant spreading： effect from the substrate and endbead[J]. 中国物理, 2006, 15(4): 818-821. DOI: 10.1088/1009-1963/15/4/025 |
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| 作者姓名： | 李欣 胡元中 王慧 杨冬 |
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| 作者单位： | The State Key Laboratory of Tribology , Tsinghua University, Beijing 100084, China |
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| 基金项目： | 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 modelare adopted to investigate the spreading of both nonfunctional andfunctional perfluoropolyether (PFPE) on solid substrates. For nonfunctionalPFPE, the spreading generally exhibits a smooth profile with a precursorfilm. The spreading profiles on different substrates are compared, whichindicate that the bead-substrate interaction has a significant effect on thespreading behaviour, especially on the formation of the precursor film. Forfunctional PFPE, the spreading generally exhibits a complicated terracedprofile. The spreading profiles with different endbeads are compared, whichindicate that the endbead-substrate interaction and the endbead--endbeadinteraction, especially the latter, have a significant effect on thespreading behaviour.
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| 关 键 词： | 分子动力学模型 润滑剂散布 薄膜润滑 薄膜物理学 |
| 收稿时间： | 2005-11-24 |
| 修稿时间： | 2005-11-242005-12-26 |
Molecular dynamic simulation of lubricant spreading: effect from the substrate and endbead |
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| Li Xin,Hu Yuan-Zhong,Wang Hui and Yang Dong. Molecular dynamic simulation of lubricant spreading: effect from the substrate and endbead[J]. Chinese Physics, 2006, 15(4): 818-821. DOI: 10.1088/1009-1963/15/4/025 |
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| Authors: | Li Xin Hu Yuan-Zhong Wang Hui Yang Dong |
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| Affiliation: | The State Key Laboratory of Tribology , Tsinghua University, Beijing 100084, China |
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| Abstract: | Molecular dynamic simulations based on a coarse-grained, bead-spring modelare adopted to investigate the spreading of both nonfunctional andfunctional perfluoropolyether (PFPE) on solid substrates. For nonfunctionalPFPE, the spreading generally exhibits a smooth profile with a precursorfilm. The spreading profiles on different substrates are compared, whichindicate that the bead-substrate interaction has a significant effect on thespreading behaviour, especially on the formation of the precursor film. Forfunctional PFPE, the spreading generally exhibits a complicated terracedprofile. The spreading profiles with different endbeads are compared, whichindicate that the endbead-substrate interaction and the endbead--endbeadinteraction, especially the latter, have a significant effect on thespreading behaviour. |
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| Keywords: | perfluoropolyether molecular dynamic simulation thinfilm lubrication spreading |
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