篇名 | The Study of Molecule List Algorithm Based on the Large Momentum Molecular System |
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卷期 | 2:2 |
並列篇名 | 適用於大動量系統之分子表列法則研究 |
作者 | 林大偉 |
頁次 | 019-024 |
關鍵字 | Molecular dynamics 、 Modified Verlet list 、 Verlet neighbor list |
出刊日期 | 201206 |
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 momentum increasing through this study. Therefore, the list updated timing is realistic than the traditional Verlet neighbor Iist 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.