CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Molecular Dynamic Simulation on Graphitization and Dehydrogenization of Hydrogenated Carbon Films in Vacuum |
QUAN Wei-Long1,2, LI Hong-Xuan1, ZHAO Fei1, JI Li1, DU Wen1, ZHOU Hui-Di1, CHEN Jian-Min1 |
1State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 2School of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070 |
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Cite this article: |
QUAN Wei-Long, LI Hong-Xuan, ZHAO Fei et al 2010 Chin. Phys. Lett. 27 078103 |
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Abstract The thermal stability of hydrogenated carbon films with H fraction from zero to 51.5% is studied by carrying out a molecular dynamical simulation on the annealing process in vacuum. Our simulations show that both graphitization temperature and dehydrogenization temperature decrease with H fraction in the films, which is in good agreement with the available experimental data. The dehydrogenization temperature is found to be much higher than the graphitization temperature. It is indicated that graphitization is the dominant process causing the degeneration of hydrogenated carbon films.
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Keywords:
81.15.Hi
83.10.Rs
61.43.Bn
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Received: 11 January 2010
Published: 28 June 2010
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PACS: |
81.15.Hi
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(Molecular, atomic, ion, and chemical beam epitaxy)
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83.10.Rs
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(Computer simulation of molecular and particle dynamics)
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61.43.Bn
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(Structural modeling: serial-addition models, computer simulation)
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