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用单组分等离子体的平衡分子动力学模拟来测试热导率模型。

Testing thermal conductivity models with equilibrium molecular dynamics simulations of the one-component plasma.

机构信息

Department of Physics and Astronomy, University of Iowa, Iowa City, Iowa 52240, USA.

出版信息

Phys Rev E. 2019 Oct;100(4-1):043206. doi: 10.1103/PhysRevE.100.043206.

Abstract

Equilibrium molecular dynamics simulations are used to calculate the thermal conductivity of the one-component plasma via the Green-Kubo formalism over a broad range of Coulomb coupling strength, 0.1≤Γ≤180. These simulations address previous discrepancies between computations using equilibrium versus nonequilibrium methods. Analysis of heat flux autocorrelation functions show that very long (6×10^{5}ω_{p}^{-1}) time series are needed to reduce the noise level to allow ≲2% accuracy. The simulations provide accurate data for Γ≲1. This enables a test of the traditional Landau-Spitzer theory, which is found to agree with the simulations for Γ≲0.3. It also enables tests of theories to address moderate and strong Coulomb coupling. Two are found to provide accurate extensions to the moderate coupling regime of Γ≲10, but none are accurate in the Γ≳10 regime where potential energy transport and coupling between mass flow and stress dominate thermal conduction.

摘要

采用平衡分子动力学模拟,通过格林-库伯形式在很宽的库仑耦合强度范围内(0.1≤Γ≤180)计算单组分等离子体的热导率。这些模拟解决了使用平衡和非平衡方法计算之间的先前差异。对热流自相关函数的分析表明,需要非常长的(6×10^{5}ω_{p}^{-1})时间序列来降低噪声水平,以允许≲2%的精度。这些模拟为 Γ≲1 提供了准确的数据。这使得可以对传统的朗道-斯皮策理论进行测试,发现该理论与 Γ≲0.3 的模拟结果一致。它还可以测试解决中等和强库仑耦合的理论。发现有两个理论可以准确扩展到 Γ≲10 的中等耦合范围,但在 Γ≳10 时,势能输运和质量流与应力之间的耦合主导热传导,没有一个理论是准确的。

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