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Dynamic properties of liquid germanium studied by an ab initio molecular-dynamics simulation
https://jaxa.repo.nii.ac.jp/records/42606
https://jaxa.repo.nii.ac.jp/records/426066b32103d-6c23-4a50-9ac9-d479485c4c92
名前 / ファイル | ライセンス | アクション |
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33133001.pdf (799.6 kB)
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Item type | テクニカルレポート / Technical Report(1) | |||||
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公開日 | 2015-03-26 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Dynamic properties of liquid germanium studied by an ab initio molecular-dynamics simulation | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 液体ゲルマニウム | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 動力学特性 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 分子動力学シミュレーション | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 中性子回折 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | X線回折 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | X線非弾性散乱 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 電子密度分布 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 研究開発 | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | liquid germanium | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | dynamic characteristic | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | molecular dynamics simulation | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | neutron diffraction | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | X ray diffraction | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | X ray inelastic scattering | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | electron density distribution | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | research and development | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_18gh | |||||
資源タイプ | technical report | |||||
その他のタイトル | ||||||
その他のタイトル | 初期分子動力学シミュレーションによる液体ゲルマニウムの動力学特性の研究 | |||||
著者 |
宗尻, 修治
× 宗尻, 修治× 下條, 冬樹× 星野, 公三× 伊丹, 俊夫× Munejiri, Shuji× Shimojo, Fuyuki× Hoshino, Kozo× Itami, Toshio |
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著者所属 | ||||||
宇宙開発事業団 | ||||||
著者所属 | ||||||
広島大学 | ||||||
著者所属 | ||||||
広島大学 | ||||||
著者所属 | ||||||
北海道大学 大学院理学研究科 | ||||||
著者所属(英) | ||||||
en | ||||||
National Space Development Agency of Japan | ||||||
著者所属(英) | ||||||
en | ||||||
Hiroshima University | ||||||
著者所属(英) | ||||||
en | ||||||
Hiroshima University | ||||||
著者所属(英) | ||||||
en | ||||||
Hokkaido University Graduate School of Science | ||||||
出版者 | ||||||
出版者 | 宇宙開発事業団 | |||||
出版者(英) | ||||||
出版者 | National Space Development Agency of Japan (NASDA) | |||||
書誌情報 |
en : Modeling and Precise Experiments of Diffusion Phenomena in Melts Under Microgravity: Annual Report 2000 p. 41-47, 発行日 2002-02-28 |
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抄録(英) | ||||||
内容記述タイプ | Other | |||||
内容記述 | Dynamic structures of liquid germanium at the temperature of 1253 K were investigated by a long-time (66 ps) first-principles molecular-dynamics simulation. The calculated structure factor is in good agreement with the results of the neutron and x-ray diffraction experiments. It is found that an atom diffuses quickly not only when its coordination number becomes smaller but also when surrounding atoms are moving together to almost the same direction. Moreover it was found out that each atom migrates staying in a group of several neighboring atoms for 0.3-0.5 ps. The calculated dynamic structure factors and the dispersion relation are in excellent agreement with the result of the recent x-ray inelastic scattering experiment. | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1345-7888 | |||||
資料番号 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 資料番号: AA0033133001 | |||||
レポート番号 | ||||||
内容記述タイプ | Other | |||||
内容記述 | レポート番号: NASDA-TMR-010019E |