标题： 两温度两组分等离子体的量子奥恩斯坦-泽尔尼克理论 显示英文标题

标题： Quantum Ornstein-Zernike Theory for Two-Temperature Two-Component Plasmas

摘要： 实验室等离子体生成通常优先加热离子或电子，导致双温状态。 在双温、绝热电子极限下，可以使用密度泛函理论分子动力学对这些系统进行高保真建模。 受此启发，我们构建了一个多温系统的统计力学框架，该框架在理论上与从头算计算一致。 我们首次推导出多温量子 Ornstein-Zernike 方程。 然后，我们使用平均原子构建了一个双温双组分等离子体模型，并计算了径向分布函数、粘度、离子热导率和离子自扩散。 我们验证了能够恢复密度泛函分子动力学模拟的离子结构和自扩散。 显示英文摘要

摘要： Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. High-fidelity modeling of these systems can be achieved with density functional theory molecular dynamics in the two-temperature, adiabatic electron limit. Motivated by this, we construct a statistical mechanics framework for the multi-temperature system that is theoretically consistent with the ab initio calculation. We proceed to derive multi-temperature quantum Ornstein-Zernike equations for the first time. We then construct a two-temperature two-component plasma model using the average atom and compute the radial distribution function, viscosity, ion thermal conductivity, and ion self-diffusion. We verify that we recover the ionic structure and self-diffusion of density functional molecular dynamics simulations.