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热膨胀铝的电导率:实验测量与从头算计算

Electrical conductivity of hot expanded aluminum: experimental measurements and ab initio calculations.

作者信息

Recoules Vanina, Renaudin Patrick, Clérouin Jean, Noiret Pierre, Zérah Gilles

机构信息

Département de Physique Théorique et Appliquée, CEA/DAM Ile-de-France, Boîte Postale 12, 91680 Bruyères-le-Châtel Cedex, France.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Nov;66(5 Pt 2):056412. doi: 10.1103/PhysRevE.66.056412. Epub 2002 Nov 26.

Abstract

Experimental measurements and theoretical calculations of the electrical conductivity of aluminum are presented in the strongly coupled partially degenerate regime (rho=0.3 g/cm(3), 5000<T<15 000 K). The experiments were performed in an isochoric plasma closed vessel designed to confine electrical plasma discharges up to 1.5 GPa. Aluminum properties were determined theoretically by ab initio molecular dynamics simulations in the local density approximation, from which the conductivity was computed using the Kubo-Greenwood formula. The theoretical results were validated in the dense coupled regime against previously published experimental results and then applied to our experimental low density regime, showing that the theoretical results overestimate the experimental conductivities.

摘要

本文给出了在强耦合部分简并状态(ρ = 0.3 g/cm³,5000 < T < 15000 K)下铝的电导率的实验测量结果和理论计算结果。实验是在一个等容等离子体封闭容器中进行的,该容器设计用于限制高达1.5 GPa的电等离子体放电。通过在局域密度近似下的从头算分子动力学模拟从理论上确定铝的性质,然后使用久保 - 格林伍德公式计算电导率。在致密耦合状态下,将理论结果与先前发表的实验结果进行了验证,然后应用于我们的实验低密度状态,结果表明理论结果高估了实验电导率。

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