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  1. 学術雑誌論文
  2. その他
  1. 部局別インデックス
  2. 教育学部

Effect of uniaxial tensile strain on binding energy of hydrogen atoms to vacancy-carbon-hydrogen complexes in α-iron

http://hdl.handle.net/20.500.12000/0002019439
http://hdl.handle.net/20.500.12000/0002019439
78661178-e630-4700-8f45-16dd93bdf222
名前 / ファイル ライセンス アクション
1-s2.0-S2352179122000655-main.pdf 1-s2.0-S2352179122000655-main.pdf (3.9 MB)
Item type 琉球大学リポジトリ登録用アイテムタイプ(1)
公開日 2022-09-09
タイトル
タイトル Effect of uniaxial tensile strain on binding energy of hydrogen atoms to vacancy-carbon-hydrogen complexes in α-iron
言語 en
作成者 Hirayama, Shintaro

× Hirayama, Shintaro

en Hirayama, Shintaro

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Sato, Koichi

× Sato, Koichi

en Sato, Koichi

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Kato, Daiji

× Kato, Daiji

en Kato, Daiji

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Iwakiri, Hirotomo

× Iwakiri, Hirotomo

en Iwakiri, Hirotomo

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Yamaguchi, Masatake

× Yamaguchi, Masatake

en Yamaguchi, Masatake

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Watanabe, Yoshiyuki

× Watanabe, Yoshiyuki

en Watanabe, Yoshiyuki

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Nozawa, Takashi

× Nozawa, Takashi

en Nozawa, Takashi

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アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利情報
言語 en
権利情報 © 2022 The Author(s).
権利情報
言語 en
権利情報Resource http://creativecommons.org/licenses/by-nc-nd/4.0/
権利情報 This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)
主題
言語 en
主題Scheme Other
主題 Vacancies
主題
言語 en
主題Scheme Other
主題 Hydrogen
主題
言語 en
主題Scheme Other
主題 Iron
主題
言語 en
主題Scheme Other
主題 Tensile strain
主題
言語 en
主題Scheme Other
主題 Binding energy
主題
言語 en
主題Scheme Other
主題 Density functional theory
内容記述
内容記述タイプ Abstract
内容記述 The hydrogen binding energy to vacancies or vacancy-carbon complexes in α-Fe under uniaxial tensile strain was calculated using the density functional theory. The solution energies of hydrogen and carbon decreased with an increase in the uniaxial tensile strain. With increasing strain, the binding energy of hydrogen atoms to vacancies also decreases; however, the binding energy of the vacancy-carbon complexes increases. The hydrogen retention was estimated under exposure to hydrogen gas. In the strained area, both the hydrogen concentration of the interstitial hydrogen atoms and the number of hydrogen atoms trapped in the vacancies increased. Therefore, hydrogen retention increased with increasing strain; however, the change in the hydrogen binding energy did not have a strong impact on the hydrogen retention. The presence of vacancies affects hydrogen retention more strongly. Although the binding energy of hydrogen atoms to vacancy-carbon complexes increased, the hydrogen retention in the Fe-C alloy was lower than that in pure Fe.
言語 en
出版者
言語 en
出版者 Elsevier Ltd.
言語
言語 eng
資源タイプ
資源タイプ journal article
資源タイプ識別子 http://purl.org/coar/resource_type/c_6501
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
関連情報
識別子タイプ DOI
関連識別子 https://doi.org/10.1016/j.nme.2022.101179
収録物識別子
収録物識別子タイプ EISSN
収録物識別子 2352-1791
収録物名
言語 en
収録物名 Nuclear Materials and Energy
書誌情報
巻 31, 発行日 2022-06
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