Dynamic properties of liquid germanium studied by an ab initio molecular-dynamics simulation

• 資料種別: 文書・図像類
• タイトル: Dynamic properties of liquid germanium studied by an ab initio molecular-dynamics simulation
• 著者・編者: 宗尻, 修治; 下條, 冬樹; 星野, 公三; 伊丹, 俊夫; Munejiri, Shuji; Shimojo, Fuyuki; Hoshino, Kozo; Itami, Toshio
• 著者標目: 宗尻, 修治; 下條, 冬樹; 星野, 公三; 伊丹, 俊夫; Munejiri, Shuji; Shimojo, Fuyuki; Hoshino, Kozo; Itami, Toshio
• 出版事項: 宇宙開発事業団
• 出版年月日等: 2002-02-28
• 出版年（W3CDTF）: 2002-02-28
• 並列タイトル等: 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
• タイトル（掲載誌）: Modeling and Precise Experiments of Diffusion Phenomena in Melts Under Microgravity: Annual Report 2000
• 掲載ページ: 41-47
• ISSN（掲載誌）: ISSN : 1345-7888
• 本文の言語コード: eng
• 件名標目: 液体ゲルマニウム; 動力学特性; 分子動力学シミュレーション; 中性子回折; X線回折; X線非弾性散乱; 電子密度分布; 研究開発; liquid germanium; dynamic characteristic; molecular dynamics simulation; neutron diffraction; X ray diffraction; X ray inelastic scattering; electron density distribution; research and development
• 対象利用者: 一般
• 一般注記: 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.; 資料番号: AA0033133001; レポート番号: NASDA-TMR-010019E
• 一次資料へのリンクURL: https://jaxa.repo.nii.ac.jp/?action=repository_action_common_download&item_id=42606&item_no=1&attribute_id=31&file_no=1
• オンライン閲覧公開範囲: 限定公開
• 連携機関・データベース: 国立情報学研究所 : 学術機関リポジトリデータベース（IRDB）（機関リポジトリ）; https://irdb.nii.ac.jp
• 提供元機関・データベース: 宇宙航空研究開発機構 : 宇宙航空研究開発機構リポジトリ