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

Material type: 文書・図像類

Author: 宗尻, 修治ほか

Publisher: 宇宙開発事業団

Publication date: 2002-02-28

Material Format: Digital

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Note (General)：: Dynamic structures of liquid germanium at the temperature of 1253 K were investigated by a long-time (66 ps) first-principles molecular-dynamics simul...

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Material Type: 文書・図像類
Title: Dynamic properties of liquid germanium studied by an ab initio molecular-dynamics simulation
Author/Editor: 宗尻, 修治
下條, 冬樹
星野, 公三
伊丹, 俊夫
Munejiri, Shuji
Shimojo, Fuyuki
Hoshino, Kozo
Itami, Toshio
Author Heading: 宗尻, 修治
下條, 冬樹
星野, 公三
伊丹, 俊夫
Munejiri, Shuji
Shimojo, Fuyuki
Hoshino, Kozo
Itami, Toshio
Publication, Distribution, etc.: 宇宙開発事業団
Publication Date: 2002-02-28
Publication Date (W3CDTF): 2002-02-28
Alternative Title: 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
Periodical title: Modeling and Precise Experiments of Diffusion Phenomena in Melts Under Microgravity: Annual Report 2000
Pages: 41-47
ISSN (Periodical Title): ISSN : 1345-7888
Text Language Code: eng
Subject Heading: 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
Target Audience: 一般
Note (General): 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
Source: https://jaxa.repo.nii.ac.jp/?action=repository_action_common_download&item_id=42606&item_no=1&attribute_id=31&file_no=1
https://jaxa.repo.nii.ac.jp/?action=repository_action_common_download&item_id=42606&item_no=1&attribute_id=31&file_no=1
Access Restrictions: 限定公開
Data Provider (Database): 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
Original Data Provider (Database): 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