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Carbon dioxide shock and reshock equation of state data to 8 Mbar: Experiments and simulations

机译:二氧化碳冲击和再冲击状态数据方程达到8 Mbar:实验和模拟

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摘要

We present density functional theory (DFT) simulations and shock-reshock experiments for liquid carbon dioxide (CO_2) in the range 100 to 800 GPa. The simulations support the previously suggested dissociation threshold around 50 GPa [W. J. Nellis et al., J. Chem. Phys. 95, 5268 (1991)] for shocked liquid CO_2 and describe a very steep Hugoniot past dissociation. We performed the shock-reshock experiments using the Sandia Z machine. The Z machine magnetically accelerated aluminum flyer plates to shock compress cryogenic liquid CO_2 to 550 GPa and attained reshock states up to 840 GPa. The plate impact experiments combined with well-characterized impedance matching standards and laser velocimetry results in high-accuracy measurements of the principal Hugoniot and reshock states of liquid CO_2. The experimental results validated the DFT simulations at extreme conditions and the combination of experiment and DFT provide reliable data for evaluating existing and constructing future wide-range equations of state models for molecular compounds such as CO_2.
机译:我们目前在100至800 GPa范围内的液态二氧化碳(CO_2)的密度泛函理论(DFT)模拟和冲击试验。模拟支持先前建议的解离阈值,约为50 GPa [W. J.Nellis等人,J.Chem。物理95,5268(1991)]描述了液态CO_2的冲击,并描述了非常陡峭的Hugoniot过去的分解。我们使用Sandia Z机进行了冲击试验。 Z机用磁加速的铝制翼板将低温液体CO_2冲击压缩至550 GPa,并获得高达840 GPa的回弹状态。板冲击实验与特征明确的阻抗匹配标准和激光测速技术相结合,可对液态CO_2的主要Hugoniot和再激波状态进行高精度测量。实验结果验证了在极端条件下的DFT模拟,并且实验和DFT的结合为评估现有的分子模型和建立诸如CO_2等分子状态模型的未来宽范围方程提供了可靠的数据。

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  • 来源
    《Physical review》 |2013年第22期|224102.1-224102.10|共10页
  • 作者单位

    Sandia National Laboratories, Albuquerque, Mew Mexico 87185, USA;

    Sandia National Laboratories, Albuquerque, Mew Mexico 87185, USA;

    Sandia National Laboratories, Albuquerque, Mew Mexico 87185, USA;

    Sandia National Laboratories, Albuquerque, Mew Mexico 87185, USA;

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