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Effect of uniaxial tensile strain on binding energy of hydrogen atoms to vacancy-carbon-hydrogen complexes in α-iron
https://repo.qst.go.jp/records/86008
https://repo.qst.go.jp/records/86008449285af-112b-4a2f-8ab1-d98b5105dafb
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2022-04-19 | |||||
| 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 | ||||||
| 言語 | eng | |||||
| 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 | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
Hirayama, S.
× Hirayama, S.× Sato, K.× Kato, D.× Iwakiri, H.× Yamaguchi, M.× Watanabe, Y.× Nozawa, T.× Yoshiyuki, Watanabe× Takashi, Nozawa |
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| 抄録 | ||||||
| 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. | |||||
| 書誌情報 |
Nuclear Materials and Energy 巻 31, p. 101179, 発行日 2022-04 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 2352-1791 | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.nme.2022.101179 | |||||
| 関連サイト | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | https://doi.org/10.1016/j.nme.2022.101179 | |||||
