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A many-body force molecular dynamics simulation of liquid Ge
https://jaxa.repo.nii.ac.jp/records/41873
https://jaxa.repo.nii.ac.jp/records/4187319cdf4ce-5e89-473e-ab76-822c14d5955c
名前 / ファイル | ライセンス | アクション |
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29039014.pdf (253.4 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 | A many-body force molecular dynamics simulation of liquid Ge | |||||
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 | 多体力 | |||||
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 | 原子間ポテンシャル | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 多体相互作用 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 拡散係数 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 静的液体構造 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 動径分布関数 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Stillinger Weberポテンシャル | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 液体構造 | |||||
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 | many body force | |||||
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 | interatomic potential | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | many body interaction | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | diffusion coefficient | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | static liquid structure | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | radial distribution function | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | Stillinger Weber potential | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | liquid structure | |||||
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 | 液体ゲルマニウムの多体力分子動力学シミュレーション | |||||
著者 |
松本, 聡
× 松本, 聡× 宗尻, 修治× 伊丹, 俊夫× Matsumoto, Satoshi× Munejiri, Shuji× Itami, Toshio |
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著者所属 | ||||||
宇宙開発事業団 宇宙環境利用研究システム | ||||||
著者所属 | ||||||
宇宙開発事業団 宇宙環境利用研究システム | ||||||
著者所属 | ||||||
宇宙開発事業団 宇宙環境利用研究システム | ||||||
著者所属(英) | ||||||
en | ||||||
National Space Development Agency of Japan Space Utilization Research Program | ||||||
著者所属(英) | ||||||
en | ||||||
National Space Development Agency of Japan Space Utilization Research Program | ||||||
著者所属(英) | ||||||
en | ||||||
National Space Development Agency of Japan Space Utilization Research Program | ||||||
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 |
宇宙開発事業団技術報告 en : NASDA Technical Memorandum p. 113-116, 発行日 2001-03-01 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | 液体ゲルマニウムに対する分子動力学シミュレーションの結果を報告した。Stillinger-Weberにより始めて提案された2体および3体の相互作用を含む経験的原子間ポテンシャルを使用した。シミュレーションによって得た拡散係数と静的液体構造を実験結果と比較した。分子動力学によって見積もった拡散係数は、微小重力下で得た実験データよりも小さくなった。シミュレーションによる動径分布関数は、明らかに大きすぎる2乃至3個のピークを持っている。シミュレーションと実験の間の液体構造の一致を向上するために、原子間ポテンシャルパラメータの修正をおこなった。その結果、拡散係数は増大し、液体構造は実験データに近づいた。 | |||||
抄録(英) | ||||||
内容記述タイプ | Other | |||||
内容記述 | The results of molecular dynamics simulations for liquid Ge were presented. The empirical interatomic potential, originally proposed by Stillinger-Weber, which includes two- and three- body interactions, was employed. The diffusion coefficient and the static liquid structure obtained by the simulations were compared with results derived from experiments. The diffusion coefficients estimated by molecular dynamics become smaller than experimental data obtained in microgravity. The radial distribution function resulting from the simulations displays clearly too larger second and third peaks. Adjustment of the interatomic potential parameter was tried to improve the agreement of liquid structure between simulations and experiments. As a result, the diffusion coefficients became larger and the liquid structure closer to the experimental data. | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1345-7888 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AN00364784 | |||||
資料番号 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 資料番号: AA0029039014 | |||||
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-000013E |