| 固体氢的压缩行为 |
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| 引用本文： | 崔田 邹广田. 固体氢的压缩行为[J]. 高压物理学报, 1998, 12(1): 22-27 |
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| 作者姓名： | 崔田 邹广田 |
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| 作者单位： | 吉林大学超硬材料国家重点实验室 |
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| 摘 要： | 同时考虑分子的平动与转动自由度，用等温等压系综的路径积分蒙特卡罗方法研究了固体氢的状态方程。在有实验数据的区域，计算结果同实验结果符合很好，在无实验数据的超高压区域，计算结果同实验的外推结果符合。为了定量研究零点运动，还计算了体系的能量。
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| 关 键 词： | 路径积分蒙特卡罗方法 等温等压系综 状态方程 |
| 收稿时间： | 1997-10-14; |
Properties of Solid Hydrogen at High Pressure |
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| CUI Tian,ZOU Guang-Tian,HAN Jie,Whaley K B. Properties of Solid Hydrogen at High Pressure[J]. Chinese Journal of High Pressure Physics, 1998, 12(1): 22-27 |
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| Authors: | CUI Tian ZOU Guang-Tian HAN Jie Whaley K B |
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| Affiliation: | 1. National Laboratory of Superhard Materials, Jilin University, Changchun 130023, China;2. Chemistry Department, University of California, Berkeley 94720, USA |
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| Abstract: | The path integral Monte Carlo method with a constant pressure ensemble is used to study the equation of state of solid hydrogen with translational and rotational degrees of freedom. The results are in quantitative agreement with the experimental data. For understanding the quantum nature of the solid, the energies of the system at different temperatures are also calculated. |
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| Keywords: | path integral Monte Carlo constant pressure ensemble equation of state |
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