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首页> 外文期刊>Physical review >Multishock compression of dense cryogenic hydrogen-helium mixtures up to 60 GPa: Validating the equation of state calculated from first principles
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Multishock compression of dense cryogenic hydrogen-helium mixtures up to 60 GPa: Validating the equation of state calculated from first principles

机译:高达60 GPa的致密低温氢-氦混合物的多冲击压缩:验证根据第一原理计算的状态方程

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摘要

Multishock compression experiments on hydrogen-helium (Hi-He) mixtures have been performed via a two-stage light-gas gun for providing equations of state (EOS) covering a wide pressure range. The initial gaseous H_2-He sample was precompressed to 20-30 MPa and cooled down to around 90 K to gain high initial sample density. Up to three shock compressions were clearly observed from the time-resolved light radiance of the shocked sample recorded by a multichannel optical pyrometer. The measured EOS data of the Hi-He mixture reached an unexplored range of pressure up to 60 GPa, which is well in the molecular-to-atomic transition regime. The wide-range experimental data are used to validate the state-of-the-art first-principles simulation methods. It is found that the density functional theory molecular dynamics (DFT-MD) simulations underestimate the dissociation of hydrogen and therefore predict the Hi-He EOS to be stiffer than the experimental data in the molecular-to-atomic transition regime. A careful analysis of the pair correlation functions and comparison with the results of pure hydrogen revealed that DFT-MD might overestimate the effects of helium on the bond of the hydrogen molecule when hydrogen is mixed with helium. Finally, the current measurements validate a linear-mixing ab initio EOS [Astrophys. J. Suppl. S. 215, 21 (2014)] widely used in astrophysics.
机译:已经通过两级轻气枪对氢-氦(Hi-He)混合物进行了多冲击压缩实验,以提供涵盖宽压力范围的状态方程(EOS)。将初始气态H_2-He样品预压缩至20-30 MPa,然后冷却至90 K左右,以获取较高的初始样品密度。从多通道光学高温计记录的冲击样品的时间分辨光辐射率中,可以清楚地观察到多达三个冲击压缩。测得的Hi-He混合物的EOS数据达到了高达60 GPa的未探索压力范围,这在分子到原子跃迁范围内是很好的。广泛的实验数据用于验证最新的第一原理模拟方法。发现密度泛函理论分子动力学(DFT-MD)模拟低估了氢的离解,因此预测了Hi-He EOS在分子到原子跃迁范围内比实验数据更坚硬。仔细分析该对相关函数并与纯氢的结果进行比较,发现当氢与氦混合时,DFT-MD可能会高估氦对氢分子键的影响。最后,当前的测量结果验证了线性混合从头开始的EOS [Astrophys。 J.补充S. 215,21(2014)]广泛用于天体物理学。

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  • 来源
    《Physical review》 |2018年第6期|064101.1-064101.7|共7页
  • 作者单位

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China;

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China;

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China;

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China;

    School of Science, Southwest University of Science and Technology, Mianvang 621010, China;

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China,Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064, China;

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China,Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064, China;

    National Key Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P. O. Box 919-102, Mianyang, China,Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064, China;

    Department of Physics, National University of Defense Technology, Changsha 410073, China;

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