固体氢的压缩行为

《高压物理学报》第二届青年编委会招募启事《高压物理学报》2023年度优秀审稿人和优秀论文评选结果第十四届全国爆炸力学学术会议第二轮通知第九届“从原子到地球”——高压科学研讨会第三轮通知第九届“从原子到地球”——高压科学研讨会第二轮通知第四届全国超高速碰撞学术会议通知（第二轮）第二十一届中国高压科学学术会议第一轮通知通知推荐：高压下Fe92.5O2.2S5.3的熔化温度（特约稿件）推荐：透明陶瓷的超高压制备研究进展（特约综述）推荐：氢的高压奇异结构与金属化（特约综述）推荐：第二主族氢化物的高压研究（特约综述）推荐：氢氘物态方程研究进展（特约综述）

高级检索

固体氢的压缩行为

崔田, 邹广田, 韩杰, Whaley K B

文章导航 > 高压物理学报 > 1998 > 12(1): 22-27 .

崔田, 邹广田, 韩杰, Whaley K B. 固体氢的压缩行为[J]. 高压物理学报, 1998, 12(1): 22-27 . doi: 10.11858/gywlxb.1998.01.004

引用本文:

崔田, 邹广田, 韩杰, Whaley K B. 固体氢的压缩行为[J]. 高压物理学报, 1998, 12(1): 22-27 . doi: 10.11858/gywlxb.1998.01.004

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 . doi: 10.11858/gywlxb.1998.01.004

Citation:

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 . doi: 10.11858/gywlxb.1998.01.004

崔田, 邹广田, 韩杰, Whaley K B. 固体氢的压缩行为[J]. 高压物理学报, 1998, 12(1): 22-27 . doi: 10.11858/gywlxb.1998.01.004

引用本文:

崔田, 邹广田, 韩杰, Whaley K B. 固体氢的压缩行为[J]. 高压物理学报, 1998, 12(1): 22-27 . doi: 10.11858/gywlxb.1998.01.004

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 . doi: 10.11858/gywlxb.1998.01.004

Citation:

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 . doi: 10.11858/gywlxb.1998.01.004

固体氢的压缩行为

doi: 10.11858/gywlxb.1998.01.004

1.
吉林大学超硬材料国家重点实验室，吉林长春 130023；
2.
Chemistry Department, University of California, Berkeley 94720, USA

通讯作者:
崔田

计量
- 文章访问数: 7263
- HTML全文浏览量: 450
- PDF下载量: 615
出版历程
- 收稿日期: 1997-10-14
- 修回日期: 1997-10-14
- 发布日期: 1998-03-05

Properties of Solid Hydrogen at High Pressure

1.
National Laboratory of Superhard Materials, Jilin University, Changchun 130023, China;
2.
Chemistry Department, University of California, Berkeley 94720, USA

More Information

Corresponding author: CUI Tian

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。
- 路径积分蒙特卡罗方法 /
- 等温等压系综 /
- 状态方程
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.
- path integral Monte Carlo /
- constant pressure ensemble /
- equation of state

参考文献(16)

Mao H K, Hemley R J. Am Sci, 1992, 80: 234.

Mao H K, Hemley R J. Rev Mod Phys, 1994, 66: 671.

Silvera I. Rev Mod Phys, 1980, 52: 293.

Cheng E, Whaley K B. J Chem Phys, 1996, 104: 3155.

Norman M J, Watts R O, Buck U. J Chem Phys, 1984, 81: 3500.

Coker D F, Watts R O. J Chem Phys, 1987, 86: 5703.

Silvera I, Goldman V V. J Chem Phys, 1978, 69: 4209.

Hemley R J, Mao H K. Science, 1994, 263: 1590.

Schaefer J, Kohler W E. Z Phys D, 1989, 13: 217.

Runge K R, Surh M P, Mailhiot C, et al. Phys Rev Lett, 1992, 69: 3527.

Ceperley D M. Rev Mod Phys, 1995, 67: 279.

Metropolis N, Rosenbluth A W, Rosenbluth M N, et al. J Chem Phys, 1953, 21: 1087.

Kalos M H, Whitlock P A. Monte Carlo Methods. New York: Wiley, 1986.

McDonald I R. Mol Phys, 1972, 23: 41.

Allen M P, Tildesley D J. Computer Simulation of Liquids. Oxford: Clarendon Press, 1987.

Hemley R J, Mao H K, Finger L W, et al. Phys Rev B, 1990, 42: 6458.

资源附件(0)

WeChat

点击查看大图

计量

文章访问数: 7263
HTML全文浏览量: 450
PDF下载量: 615

/

下载: 全尺寸图片幻灯片

分享

用微信扫码二维码

分享至好友和朋友圈

返回