| Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films | |
| Ma, Tian-Bao ; Hu, Yuan-Zhong ; Wang, Hui | |
| 2010-10-12 ; 2010-10-12 | |
| 关键词 | DIAMOND-LIKE-CARBON INDUCED PHASE-TRANSFORMATION FRICTION COATINGS SCALE STRESSES SURFACE Chemistry, Physical Materials Science, Multidisciplinary |
| 中文摘要 | The shear-induced graphitization of amorphous carbon (a-C) films in sliding contact with a diamond counterface is investigated by molecular dynamics (MD) simulations. The gradual formation of a graphene-like sp(2) dominant layer on the a-C film surface is observed after steady-state sliding has been achieved, which provides direct evidence for the experimental observations of friction induced graphitization of a-C film. After the graphitized layer is formed, the relative sliding occurs between the graphitized atomic layers. During the shearing process, the biaxial stress in the graphitized layer experiences a transition from highly compressive (42 GPa) to tensile (-3 GPa). It is the relaxation of the local biaxial stress that leads to the sp(3)-to-sp(2) structural transformation. (C) 2009 Elsevier Ltd. All rights reserved. |
| 语种 | 英语 ; 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD ; OXFORD ; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND |
| 内容类型 | 期刊论文 |
| 源URL | [http://hdl.handle.net/123456789/80326]  |
| 专题 | 清华大学 |
| 推荐引用方式 GB/T 7714 | Ma, Tian-Bao,Hu, Yuan-Zhong,Wang, Hui. Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films[J],2010, 2010. |
| APA | Ma, Tian-Bao,Hu, Yuan-Zhong,&Wang, Hui.(2010).Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films.. |
| MLA | Ma, Tian-Bao,et al."Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films".(2010). |
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