Ion dynamics and energy relaxation rate in nonequilibrium electron-ion systems.
Ion dynamics and energy relaxation rate in nonequilibrium electron-ion systems.
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DOI：
10.1103/physreve.75.026402
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发表时间：
2007-02
期刊：
影响因子：
--
通讯作者：
J. Daligault;D. Mozyrsky
中科院分区：
文献类型：
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作者：
J. Daligault;D. Mozyrsky
我们严格推导了非平衡电子-离子系统中能量平衡率的解析表达式，该表达式对于包括固体和液体金属、热致密物质和热弱耦合等离子体在内的一大类系统有效。为此，我们首先推导出一个广义朗之万方程，该方程描述了电子量子力学环境中经典离子的运动。然后假设每个子系统与其自身处于热平衡，则获得能量弛豫率的一般表达式。直接近似自然地再现了朗道和斯皮策对于热等离子体的流行结果以及对于致密物质的“费米黄金法则”结果。我们提出了一种方法，通过有限温度密度泛函理论计算来数值评估困难状态下的能量弛豫率，例如热致密物质状态，其中量子和强耦合效应都不能被忽略。
We rigorously derive an analytical expression for the energy equilibration rate in nonequilibrium electron-ion systems that is valid for a large class of systems including solid and liquid metals, warm dense matter, and hot, weakly coupled plasmas. To this end we first derive a generalized Langevin equation that describes the motion of the classical ions in the quantum mechanical environment of the electrons. A general expression for the energy relaxation rate is then obtained assuming that each subsystem is in thermal equilibrium with itself. Direct approximations naturally reproduce the popular results of Landau and Spitzer for hot plasmas and the "Fermi golden rule" result for dense matter. We propose a method to evaluate numerically the energy relaxation rate with finite-temperature density functional theory calculations in difficult regimes such as the warm dense matter regime where neither quantum nor strong coupling effects can be ignored.