Optical and transport properties of plasma mixtures from ab initio molecular dynamics

White, Alexander J.; Craven, Galen T.; Sharma, Vidushi; Collins, Lee A.

doi:10.1063/5.0198003

Title: Optical and transport properties of plasma mixtures from ab initio molecular dynamics

Journal Article · 09 April 2024 · Physics of Plasmas

DOI: https://doi.org/10.1063/5.0198003 · OSTI ID:2340914

^[1]; Craven, Galen T. ^[1];

^[1];

^[1]

Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Predicting the charged particle transport properties of warm dense matter/hot dense plasma mixtures is a challenge for analytical models. High accuracy ab initio methods are more computationally expensive, but can provide critical insight by explicitly simulating mixtures. In this work, we investigate the transport properties and optical response of warm dense carbon–hydrogen mixtures at varying concentrations under either conserved electronic pressure or mass density at a constant temperature. We compare options for mixing the calculated pure species properties to estimate the results of the mixtures. We find that a combination of the Drude model with the Matthiessen's rule works well for DC electron transport and low-frequency optical response. This breaks down at higher frequencies, where a volumetric mix of pure-species AC conductivities works better.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2340914

Alternate ID(s):: OSTI ID: 2567705

Report Number(s):: LA-UR--24-20257

Journal Information:: Physics of Plasmas, Journal Name: Physics of Plasmas Journal Issue: 4 Vol. 31; ISSN 1070-664X

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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