Quantum Ornstein-Zernike theory for two-temperature two-component plasmas
Phys. Rev. E 112, 025207 – Published 18 August, 2025
DOI: https://doi.org/10.1103/5c29-kdx1
Abstract
Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. In this state, density functional theory molecular dynamic simulation is the state of the art for modeling bulk material properties. We construct a statistical mechanics model for the two-temperature limit that is theoretically consistent with the molecular dynamics method. We proceed to derive the electron-ion multitemperature quantum Ornstein-Zernike equations for the first time. This allows the construction of a two-temperature, two-component plasma model using the average atom from which we can compute bulk material properties at a fraction of the computation time of the two-temperature density functional theory simulation. The accuracy of the model is benchmarked against ion pair correlation and self-diffusion results from ab initio simulation. We proceed to compute the viscosity and ion thermal conductivity as a function of both ion and electron temperature.
Physics Subject Headings (PhySH)
- Classical statistical mechanics
- Diffusion
- High-energy-density plasmas
- Ionic transport
- Nonequilibrium & irreversible thermodynamics
- Nonequilibrium statistical mechanics
- Plasma thermodynamics
- Thermal conductivity of fluids
- Transport phenomena
- Warm-dense matter
- Viscosity
- Ab initio molecular dynamics
- Density functional theory
- Molecular dynamics