Dynamic structure of liquid germanium by a first-principles 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: 2002-12-27

Material Format: Digital

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Note (General)：: Dynamic structures of liquid germanium at the temperature of 1,253 K were investigated by a first-principles molecular-dynamics simulation. To investi...

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Material Type: 文書・図像類
Title: Dynamic structure of liquid germanium by a first-principles 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: 2002-12-27
Publication Date (W3CDTF): 2002-12-27
Alternative Title: 第1原理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的構造
Periodical title: 宇宙開発事業団技術報告: Modeling and Precise Experiments of Diffusion Phenomena in Melts Under Microgravity: Annual Reports 2001 = NASDA Technical Memorandum: Modeling and Precise Experiments of Diffusion Phenomena in Melts Under Microgravity: Annual Reports 2001
Pages: 83-90
ISSN (Periodical Title): ISSN : 1345-7888
Text Language Code: eng
Subject Heading: 液体金属
ゲルマニウム
第1原理シミュレーション
中性子散乱
分子動力学
構造因子
構造解析
X線散乱
自己拡散
一般化勾配近似
liquid metal
germanium
first-principles simulation
neutron scattering
molecular dynamics
structure factor
structural analysis
X-ray scattering
self diffusion
generalized gradient approximation
Target Audience: 一般
Note (General): Dynamic structures of liquid germanium at the temperature of 1,253 K were investigated by a first-principles molecular-dynamics simulation. To investigate long-range correlation functions the MD simulation was carried out not only with a cubic cell but also with a rectangular parallelepiped cell. The calculated dynamic structure factors and the dispersion relation are in excellent agreement with the results of a recent inelastic X-ray scattering experiment.
資料番号: AA0045399006
レポート番号: NASDA-TMR-020025E
Source: https://jaxa.repo.nii.ac.jp/?action=repository_action_common_download&item_id=42826&item_no=1&attribute_id=31&file_no=1
https://jaxa.repo.nii.ac.jp/?action=repository_action_common_download&item_id=42826&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