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Effective pair potentials of liquid tin and germanium: Inverse method
https://jaxa.repo.nii.ac.jp/records/41872
https://jaxa.repo.nii.ac.jp/records/4187283f61a02-4949-4a6b-9011-81a218200848
名前 / ファイル | ライセンス | アクション |
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29039013.pdf (262.7 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 | Effective pair potentials of liquid tin and germanium: Inverse method | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 液体すず | |||||
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 | 分子動力学シミュレーション | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 有効対ポテンシャル | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 逆解法 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 液体金属 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 実験構造因子 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 殆ど自由な電子 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 予測子修正子法 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 自己拡散係数 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 共有結合 | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | liquid tin | |||||
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 | molecular dynamics simulation | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | effective pair potential | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | inverse method | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | liquid metal | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | experimental structure factor | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | nearly free electron | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | predictor corrector method | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | self diffusion coefficient | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | covalent bond | |||||
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 | 液体すずとゲルマニウムの有効対ポテンシャル:逆解法 | |||||
著者 |
宗尻, 修治
× 宗尻, 修治× 下條, 冬樹× 星野, 公三× Munejiri, Shuji× Shimojo, Fuyuki× Hoshino, Kozo |
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著者所属 | ||||||
宇宙開発事業団 | ||||||
著者所属 | ||||||
広島大学 総合科学部 | ||||||
著者所属 | ||||||
広島大学 総合科学部 | ||||||
著者所属(英) | ||||||
en | ||||||
National Space Development Agency of Japan | ||||||
著者所属(英) | ||||||
en | ||||||
Hiroshima University Faculty of Integrated Arts and Sciences | ||||||
著者所属(英) | ||||||
en | ||||||
Hiroshima University Faculty of Integrated Arts and Sciences | ||||||
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. 107-111, 発行日 2001-03-01 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | 液体金属の構造を分子動力学(MD)シミュレーションを使って研究するには、原子間の相互作用の情報が必要となる。ゲルマニウムやすずなどの液体金属では、液状でも共有結合が残存しているため、有効対ポテンシャルの計算に、殆ど自由な電子(NFE)モデルを使用できない。この場合に、実験静的構造因子から有効対ポテンシャルを導く逆解法が有効な方法となる。本論文では、融点近傍の実験構造データから液体すずと液体ゲルマニウムの有効対ポテンシャルを導き、その計算にMDシミュレーションを行った。MDシミュレーションは液体すずでは523K、液体ゲルマニウムでは1,253Kで行った。 | |||||
抄録(英) | ||||||
内容記述タイプ | Other | |||||
内容記述 | The information of the interaction between atoms is necessary for the investigation of liquid metal structure, using the Molecular-Dynamics (MD) simulation. For the liquid germanium or liquid tin metals, Nearly-Free-Electron (NFE) model can not be used for calculating the effective pair potential, since covalent bonds may remain even in the liquid states. In this case, the inverse method, in which the effective pair potential is derived from the experimental static structure factor, is the most effective method. In this paper, the effective pair potential of liquid tin and liquid germanium are derived from experimental structure data near the melting points and MD simulation is carried out for its calculation at 523 K and 1,253 K for tin and germanium, respectively. | |||||
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: AA0029039013 | |||||
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 |