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Interstitial Diffusion of C Interacting with Ambient H in Tungsten Crystals
http://hdl.handle.net/10655/6436
http://hdl.handle.net/10655/6436abac8f85-f95d-41de-ac6b-c4d21608e52b
名前 / ファイル | ライセンス | アクション |
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pfr2011_06-2405062.pdf (2.1 MB)
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Item type | 学術雑誌論文 / Journal Article_02(1) | |||||
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公開日 | 2012-01-24 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Interstitial Diffusion of C Interacting with Ambient H in Tungsten Crystals | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | diffusion coefficient | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | interstitial atom | |||||
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 | carbon | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | tungsten | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | material-mixing | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | first-principle method | |||||
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 |
KATO, Daiji
× KATO, Daiji× IWAKIRI, Hirotomo× MORISHITA, Kazunori× MUROGA, Takeo |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Negative binding energies between interstitial C (octahedral) and H (tetrahedral) in a bulk crystal of W (bcc) were obtained with the first-principle calculations, which indicate repulsive interaction in the interstitial C-H pair. The electron cloud associated to the each interstitial atom was analyzed with Bader's method. This analysis gives negative fractional charges of ?0.35 and ?0.37 for the interstitial C and H, respectively, supporting the repulsive interaction between them. Interstitial diffusion of C was studied including influences of ambient H atoms in the mean field approximation and the ergodic assumption. The calculated diffusion coefficients are significantly increased by the repulsive interaction with the H atoms. | |||||
書誌情報 |
en : Plasma and Fusion Research 巻 Vol.6, p. 2405062-1-4, 発行日 2011-07-01 |
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出版者 | ||||||
出版者 | プラズマ・核融合学会 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1585/pfr.6.2405062 | |||||
権利 | ||||||
権利情報 | ? 2011 The Japan Society of Plasma Science and Nuclear Fusion Research |