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Molecular Dynamics Simulation on Hydrogen Trapping on Tungsten Vacancy
http://hdl.handle.net/10655/00013624
http://hdl.handle.net/10655/00013624f60903d3-60ef-478b-b7d7-c00faa41eb81
名前 / ファイル | ライセンス | アクション |
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13809_J.Adv.Simulat.Sci.Eng (3.1 MB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2023-04-26 | |||||
タイトル | ||||||
タイトル | Molecular Dynamics Simulation on Hydrogen Trapping on Tungsten Vacancy | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Molecular dynamics | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | tungsten | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | hydrogen | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | vacancy | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
NAKAMURA, Hiroaki
× NAKAMURA, Hiroaki× TAKASAN, Kazuki× YAJIMA, Miyuki× SAITO, Seiki |
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著者ID | ||||||
内容記述タイプ | Other | |||||
内容記述 | 0000-0002-0593-8810 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The effect of hydrogen on the structural change of vacancies in tungsten is analyzed by molecular dynamics in order to clarify the interaction between vacancies and hydrogen in tungsten. Simulations are performed at different temperatures (573, 773, 1073 K) and with different numbers of hydrogen in the vacancies (0, 18, 36, 54). Evaluating (1) isopotential surface for the increase of total potential energy, (2) the root mean square deviation (RMSD) of tungsten atoms, (3) the root mean square fluctuation (RMSF) of tungsten atoms and (4) density distribution in radial direction, we found that the presence of a large number of hydrogen in a vacancy at each temperature caused changes in the structure. This fact partially supports the experimental fact that in the coalescence of two tungsten vacancies, the retention of hydrogen activates them. | |||||
書誌情報 |
Journal of Advanced Simulation in Science and Engineering 巻 10, 号 Issue 1, p. 132-143, 発行日 2023-04-25 |
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出版者 | ||||||
出版者 | Japan Society for Simulation Technology | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 2188-5303 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.15748/jasse.10.132 | |||||
権利 | ||||||
権利情報 | © 2023 Japan Society for Simulation Technology | |||||
関連サイト | ||||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.15748/jasse.10.132 | |||||
関連名称 | Publisher version | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
NAIS | ||||||
13809 |