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Molecular dynamics simulations for liquid lithium
https://jaxa.repo.nii.ac.jp/records/41862
https://jaxa.repo.nii.ac.jp/records/41862957e6189-1f6b-4f88-a25a-061b21e2be1c
名前 / ファイル | ライセンス | アクション |
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29039003.pdf (236.5 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 | Molecular dynamics simulations for liquid lithium | |||||
言語 | ||||||
言語 | eng | |||||
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 | 液体リチウム | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | イオン間ポテンシャル | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 擬ポテンシャル理論 | |||||
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 | 細分剛体球理論 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 速度自動相関関数 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 拡散機構 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | 短距離秩序 | |||||
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 | liquid lithium | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | interionic potential | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | pseudopotential theory | |||||
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 | refined hard sphere theory | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | velocity autocorrelation function | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | diffusion mechanism | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | short range order | |||||
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 | 液体リチウムの分子動力学シミュレーション | |||||
著者 |
森本, 久雄
× 森本, 久雄× 亀井, 信一× 水野, 章敏× 伊丹, 俊夫× Morimoto, Hisao× Kamei, Shinichi× Mizuno, Akitoshi× Itami, Toshio |
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著者所属 | ||||||
三菱総合研究所 | ||||||
著者所属 | ||||||
三菱総合研究所 | ||||||
著者所属 | ||||||
北海道大学 | ||||||
著者所属 | ||||||
北海道大学 | ||||||
著者所属(英) | ||||||
en | ||||||
Mitsubishi Research Institute Inc | ||||||
著者所属(英) | ||||||
en | ||||||
Mitsubishi Research Institute Inc | ||||||
著者所属(英) | ||||||
en | ||||||
Hokkaido University | ||||||
著者所属(英) | ||||||
en | ||||||
Hokkaido University | ||||||
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. 23-29, 発行日 2001-03-01 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | 擬ポテンシャル理論から導出された現実的イオン間ポテンシャルを有する液体リチウムに対して分子動力学シミュレーションを行った。求めた自己拡散係数は微小重力ロケット実験で求めた係数と良く一致した。細分剛体球理論を自己拡散係数の理論計算にも適用した。得られた結果は低温領域における微小重力実験値と良く一致したが、高温領域では幾つかの差異を観測した。速度自動相関関数から拡散のメカニズムを論じた。 | |||||
抄録(英) | ||||||
内容記述タイプ | Other | |||||
内容記述 | The molecular dynamics simulation was performed for liquid Li with realistic interionic potentials, which were derived from the pseudopotential theory. The obtained self-diffusion coefficients were in good agreement with those obtained by the microgravity rocket experiment. The refined hard sphere theory was also applied for the theoretical calculation of self-diffusion coefficient. Obtained results were in good agreement with microgravity experiment in the low temperature range though some difference was observed in higher temperature range. From the velocity auto-correlation function the mechanism of the diffusion was discussed. | |||||
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: AA0029039003 | |||||
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 |