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Kubo-Greenwood approach to conductivity in dense plasmas with average atom models

机译:使用平均原子模型的稠密等离子体电导率的Kubo-Greenwood方法

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摘要

A new formulation of the Kubo-Greenwood conductivity for average atom models is given. The new formulation improves upon previous treatments by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much improved agreement with ab initio results for DC conductivity of warm dense hydrogen and beryllium, and for thermal conductivity of hydrogen. We also give and test a slightly modified Ziman-Evans formula for the resistivity that includes a non-free electron density of states, thus removing an ambiguity in the original Ziman-Evans formula. Again, results based on this expression are in good agreement with ab initio simulations for warm dense beryllium and hydrogen. However, for both these expressions, calculations of the electrical conductivity of warm dense aluminum lead to poor agreement at low temperatures compared to ab initio simulations. (C) 2016 Elsevier B.V. All rights reserved.
机译:给出了平均原子模型的久保-格林伍德电导率的新公式。通过明确包括离子结构因子,新配方对以前的处理进行了改进。基于此新表达式的计算结果从根本上改善了热致密氢和铍的DC电导率以及氢的热导率的一致性。我们还给出并测试了经过稍微修改的Ziman-Evans公式的电阻率,其中包括非自由电子态密度,因此消除了原始Ziman-Evans公式中的歧义。同样,基于该表达式的结果与温暖的铍和氢的从头算起的模拟非常吻合。但是,对于这两个表达式,与从头算起的仿真相比,对热致密铝的电导率的计算导致在低温下的一致性差。 (C)2016 Elsevier B.V.保留所有权利。

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