@techreport{oai:jaxa.repo.nii.ac.jp:00041862, author = {森本, 久雄 and 亀井, 信一 and 水野, 章敏 and 伊丹, 俊夫 and Morimoto, Hisao and Kamei, Shinichi and Mizuno, Akitoshi and Itami, Toshio}, month = {Mar}, note = {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。, 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., 資料番号: AA0029039003, レポート番号: NASDA-TMR-000013E}, title = {Molecular dynamics simulations for liquid lithium}, year = {2001} }