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Molecular Dynamics Study for Structure and Dynamics of Amorphous and Liquid Zr_<67>Ni_<33> Alloys
https://doi.org/10.50974/00043635
https://doi.org/10.50974/00043635b9b9eb30-0539-46f4-a9a0-a57e8dc49cb9
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
KJ00004200639.pdf (853.5 kB)
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| Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2008-05-02 | |||||
| タイトル | ||||||
| タイトル | Molecular Dynamics Study for Structure and Dynamics of Amorphous and Liquid Zr_<67>Ni_<33> Alloys | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | molecular dynamics (MD) | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | glass transition | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | amorphous | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | pair distribution function | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Green-Kubo formula | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | intermediate scattering function | |||||
| 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 | 10.50974/00043635 | |||||
| ID登録タイプ | JaLC | |||||
| 著者 |
AIHARA, Tomoyasu, Jr.
× AIHARA, Tomoyasu, Jr.× KAWAZOE, Yoshiyuki× MASUMOTO, Tsuyoshi |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | Molecular dynamics simulations have been performed for Zr_<67>Ni_<33> amorphous and liquid alloys with a pair functional potential. The temperature dependence of the structure is studied. The temperature derivative of the full width at half maximum of the pair distribution function changes at the glass transition temperature. The non-collective single particle motion is analyzed by the velocity autocorrelation function (VACF) and its power spectra. The mutual and self diffusion coefficients are calculated. The collective dynamics is analyzed by the intermediate scattering function. It clearly reveals two relaxation processes below the melting point. For the equilibrium liquid state, the relaxation is detected as one process. The size effect of MD system is examined for the structure. Most of the important physical properties except for long range correlation is enough well determined by a small system. The accuracy of the transport coefficient derived from Green-Kubo formula is discussed. | |||||
| 書誌情報 |
Science reports of the Research Institutes, Tohoku University. Ser. A, Physics, chemistry and metallurgy 巻 41, 号 1, p. 1-8, 発行日 1995-03-30 |
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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 | 1995-03-30 | |||||
| 日付タイプ | Created | |||||
| フォーマット | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | 853503 bytes | |||||
| 更新日 | ||||||
| 日付 | 2010-01-27 | |||||
| 日付タイプ | Created | |||||
