| Atomic stick-slip friction between commensurate self-assembled monolayers |
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| 作者姓名： | ZHANG Tao ZHANG Jing WANG Hui HU Yuanzhong |
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| 作者单位： | The State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China,The State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China,The State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China,The State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China |
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| 基金项目： | Supported by the National Natural Science Foundation of China (Grant Nos. 59875042 and 50075043), and National 985 Special Foundation of Advanced Manufacture (Grant No. 281100600) |
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| 摘 要： | The classical molecular dynamics simulations have been used to examine the compression and friction between commensurate self-assembled monolayers (SAMs) on Au (111). The friction force changes in a period corresponding to the geometric structure of sliding surfaces. The simulations reveal an ordered atomic stick-slip motion and discontinuous movements of diverse monomers, mainly head and tail groups. All of the head groups of the static film have 2～3 metastable positions (MPs). They oscillate around one of the MPs in stick phases and jump simultaneously to a new MP in slip phases. The tail groups of the sliding film are pulled forward together with opposite ones while sticking and jump forward half of the lattice constant relative to opposite ones while slipping. A complete vision of the motion of SAM chains is thereby built up and compared with the molecule behavior predicted by the Tomlinson model.
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| 关 键 词： | molecular dynamics simulation self-assembled monolayers sliding friction stick-slip |
Atomic stick-slip friction between commensurate self-assembled monolayers |
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| ZHANG Tao,ZHANG Jing,WANG Hui,HU Yuanzhong.Atomic stick-slip friction between commensurate self-assembled monolayers[J].Progress in Natural Science,2002,12(7):501-505. |
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| Authors: | ZHANG Tao ZHANG Jing WANG Hui HU Yuanzhong |
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| Institution: | The State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China |
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| Abstract: | The classical molecular dynamics simulations have been used to examine the compression and friction between commensurate self-assembled monolayers (SAMs) on Au (111). The friction force changes in a period corresponding to the geometric structure of sliding surfaces. The simulations reveal an ordered atomic stick-slip motion and discontinuous movements of diverse monomers, mainly head and tail groups. All of the head groups of the static film have 2～3 metastable positions (MPs). They oscillate around one of the MPs in stick phases and jump simultaneously to a new MP in slip phases. The tail groups of the sliding film are pulled forward together with opposite ones while sticking and jump forward half of the lattice constant relative to opposite ones while slipping. A complete vision of the motion of SAM chains is thereby built up and compared with the molecule behavior predicted by the Tomlinson model. |
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| Keywords: | molecular dynamics simulation self-assembled monolayers sliding friction stick-slip |
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