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Structure and Effective Pair Potentials of Molten CuBr Estimated from the Anomalous X-ray Scattering Measurements
https://doi.org/10.50974/00043757
https://doi.org/10.50974/00043757ff9e886b-2694-43a7-989d-a71890f44b01
名前 / ファイル | ライセンス | アクション |
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KJ00004200804.pdf (937.4 kB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2008-05-02 | |||||
タイトル | ||||||
タイトル | Structure and Effective Pair Potentials of Molten CuBr Estimated from the Anomalous X-ray Scattering Measurements | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | anomalous X-ray scattering | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | partial structure factor | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | effective pair potential | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | molten CuBr | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | reverse Monte Carlo simulation | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | modified hypernetted-chain equation | |||||
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 | departmental bulletin paper | |||||
ID登録 | ||||||
ID登録 | 10.50974/00043757 | |||||
ID登録タイプ | JaLC | |||||
著者 |
Waseda, Yoshio
× Waseda, Yoshio× Saito, Masatoshi× Park, Changyong× Omote, Kazuhiko |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The anomalous x-ray scattering (AXS) measurements for molten CuBr have been made using the energies close to the Cu K(8.980 keV) and Br K (13.470 keV) absorption edges for estimating three partial structural functions, Cu-Cu, Br-Br and Cu-Br pairs by combining with the intensity data obtained at the energy of 17.0 keV, which is far from both edges. The data processing for obtaining three partials includes the help of the reverse Monte Carlo (RMC) simulation technique. The resultant structure factor of a_<CuCu>(Q) for cation-cation pairs was found to be rather structureless and the closest Cu-Cu distance in molten CuBr was significantly smaller than that of a_<BrBr>(Q) for anion-anion pairs, suggesting the like-ion penetration into the first unlike-ion coordination shell, similar to the molten CuCl case. The effective pair potentials of molten CuBr were also estimated from these experimental partial structural data by applying the modified hypernetted-chain (MHNC) equation coupled with a "predictor-corrector method" originally proposed by Reatto et al. in 1986 for a single component liquid system. It may be worth mentioning that the resultant pair potential for Cu-Cu pairs shows remarkable shielding for the Coulomb repulsion in its nearest neighbor region. | |||||
書誌情報 |
Science reports of the Research Institutes, Tohoku University. Ser. A, Physics, chemistry and metallurgy 巻 43, 号 2, p. 195-202, 発行日 1997-03-25 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 00408808 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00836167 | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
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 | |||||
出版者 | ||||||
出版者 | Tohoku University | |||||
資源タイプ | ||||||
内容記述タイプ | Other | |||||
内容記述 | 紀要類(bulletin) | |||||
登録日 | ||||||
日付 | 2008-05-02 | |||||
日付タイプ | Created | |||||
公開日(投稿完了日) | ||||||
日付 | 2008-05-02 | |||||
日付タイプ | Created | |||||
発行日 | ||||||
日付 | 1997-03-25 | |||||
日付タイプ | Created | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | 937389 bytes | |||||
公開範囲 | ||||||
値 | 学外 | |||||
更新日 | ||||||
日付 | 2010-01-27 | |||||
日付タイプ | Created |