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Molecular Dynamics Simulation of Hydrogen Isotope Injection into Graphene
http://hdl.handle.net/10655/3241
http://hdl.handle.net/10655/3241c3d44f5e-95ef-480b-aa34-deedd96211f9
名前 / ファイル | ライセンス | アクション |
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NIFS-875.pdf (354.6 kB)
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Item type | 研究報告書 / Research Paper(1) | |||||
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公開日 | 2010-02-05 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Molecular Dynamics Simulation of Hydrogen Isotope Injection into Graphene | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | graphene | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | graphite | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | hydrocarbon | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | sputtering | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | Molecular dynamics | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | Brenner potential | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | injection | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | hydrogen | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | deuterium | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | tritium. | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||
資源タイプ | research report | |||||
著者 |
Nakamura, H.
× Nakamura, H.× Ito, A.× Takayama, A. |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | We reveal the hydrogen isotope effect of three chemical reactions, i.e, the reflection, the absorption and the penetration ratios, by classical molecular dynamics simulation with a modified Brenner’s reactive empirical bond order (REBO) potential potential. We find that the reflection by pi?electron does not depend on the mass of the incident isotope, but the peak of the reflection by nuclear moves to higher side of incident energy. In addition to the reflection, we also find that the absorption ratio in the positive z side of the graphene becomes larger, as the mass of the incident isotope becomes larger. On the other hand, the absorption ratio in the negative z side of the graphene becomes smaller. Last, it is found that the penetration ratio does not depend on the mass of the incident isotope because the graphene potential is not affected by the mass. | |||||
書誌情報 |
en : Research Report NIFS-Series 発行日 2007-07-01 |
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報告書番号 | ||||||
NIFS-875 | ||||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0915-633X |