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題 名 | The Study of Molecule List Algorithm Based on the Large Momentum Molecular System=適用於大動量系統之分子表列法則研究 |
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作 者 | 林大偉; | 書刊名 | International Journal of Science and Engineering |
卷 期 | 2:2 2012.06[民101.06] |
頁 次 | 頁19-24 |
分類號 | 440.13 |
關鍵詞 | 大動量系統; 分子表列法則; 分子動力學; Molecular dynamics; Modified verlet list; Verlet neighbor list; |
語 文 | 英文(English) |
英文摘要 | The purpose of this paper is to propose an modified list method based on the Verlet neighbor list for the large momentum system in the molecular dynamics field. The list updated mechanism of this method is controlled by the momentum of each molecule. The variation of the list is more apparent and rapid as the system's momentumincreasing through this study. Therefore, the list updated timing is realistic than the traditional Verlet neighbor list in the large momentum system, such as the nano-flow problem. It is applicable to construct the reasonable calculation and benefit to the improvement of MD’s calculation. |
本系統中英文摘要資訊取自各篇刊載內容。