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

TL;DR

This paper develops a quantum Ornstein-Zernike framework for two-temperature, two-component plasmas, enabling accurate modeling of ion-electron interactions consistent with ab initio simulations.

Contribution

It introduces the first multi-temperature quantum Ornstein-Zernike equations and constructs a plasma model validated against molecular dynamics results.

Findings

Successfully derived multi-temperature quantum Ornstein-Zernike equations.

Constructed a two-temperature plasma model matching molecular dynamics data.

Computed key plasma properties like radial distribution function and transport coefficients.

Abstract

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.