| 氦热力学性质的分子动力学研究 |
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| 引用本文： | 何以广, 王钊, 梁晶, 等. 氦热力学性质的分子动力学研究[J]. 强激光与粒子束, 2011, 23(06). |
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| 作者姓名： | 何以广 王钊 梁晶 高爽 田宝贤 汤秀章 |
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| 作者单位： | 1.清华大学 工程物理系, 北京 1 00084;;;2.中国原子能科学研究院 高功率准分子激光实验室, 北京 1 0241 3 |
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| 摘 要： | 利用经典分子动力学和第一性原理分子动力学，研究了氦在高压下的熔化曲线、状态方程和非金属-金属转变。得到了氦在温度小于4.5 eV、 密度0.3~5.0 g/cm3范围内的状态方程，并把氦的熔化曲线的压强范围拓展到了50 GPa。氦的能隙宽度曲线表明，温度大大降低了氦的金属化密度。
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| 关 键 词： | 状态方程 分子动力学 非金属-金属转变 熔化曲线 |
Thermophysical properties of helium using molecular dynamics simulations |
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| he yiguang, wang zhao, liang jing, et al. Thermophysical properties of helium using molecular dynamics simulations[J]. High Power Laser and Particle Beams, 2011, 23. |
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| Authors: | he yiguang wang zhao liang jing gao shuang tian baoxian tang xiuzhang |
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| Affiliation: | 1. Department of Engineering Physics,Tsinghua University,Beijing 100084,China;;;2. High Power Excimer Laser Laboratory,China Institute of Atomic Energy,Beijing 102413,China |
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| Abstract: | The equation of state, melting line and metallization of helium have been studied by using quantum and classical molecular dynamics simulations. The melting line has been obtained by analyzing the radial distribution function and the diffusion parameter which is close to the experimental values. Equations of state when the temperature is less than 4.5 eV and the density is between 0.3 g/cm3 and 5.0 g/cm3 are also studied. Finally, it is found that the temperature can reduce the metallization density and metallization pressure of helium. |
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| Keywords: | equation of state molecular dynamics nonmetal-metal transition melting line |
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