Plasma and Fusion Research
Volume 5, S2072 (2010)
Regular Articles
- 1)
- National Institute for Fusion Science,322-6 Oroshi-cho, Toki 509-5292, Japan
- 2)
- Department of Energy Engineering and Science, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan
- 3)
- Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan
- 4)
- Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
- 5)
- EcoTopia Science Institute, Nagoya University, Nagoya 464-8603, Japan
Abstract
By a classical molecular dynamics (CMD) simulation with a modified Brenner's reactive empirical bond-order (REBO) potential, we found that graphite with zigzag (1010) and armchair (1120) edge states is destroyed more easily than other structures, i.e., graphite with the (0001) surface, and diamond with the (100), (111), (120), and (110) surfaces. Experimental results indicated that graphite is eroded under hydrogen atom injection with Ein = 0.3 eV, and that diamond is not eroded under the same conditions. Our simulation results are consistent with these experimental results. We also reveal the temperature and saturation dependence of the surface structure of carbon crystals.
Keywords
molecular dynamics simulation, graphite, edge state, zigzag, armchair, diamond, sputtering, hydrogen, carbon, surface structure
Full Text
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This paper may be cited as follows:
Hiroaki NAKAMURA, Atsuhi M. ITO, Seiki SAITO, Yuichi TAMURA, Susumu FUJIWARA, Noriyasu OHNO and Shin KAJITA, Plasma Fusion Res. 5, S2072 (2010).