Modelling of warm dense hydrogen via explicit real time electron dynamics: Electron transport properties

2024/10/11 by Pontus Svensson, Svensson, Pontus, Patrick Hollebon +7
Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Plasma Physics (physics.plasm-ph) #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies

paper · pdf · doi:10.48550/arxiv.2410.08664

openalex publication_date 2024/10/11 · openalex created_date 2024/10/16 · openalex updated_date 2026/07/28

Abstract

We extract electron transport properties from atomistic simulations of a two-component plasma, by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure is performed via Markov Chain Monte Carlo sampling over multiple spectra simultaneously. The free-electron dynamic structure factor and its properties have been investigated in the hydrodynamic formulation to justify its application to the long-wavelength behaviour of warm dense matter. We have applied this method to warm dense hydrogen modelled with wave packet molecular dynamics, and showed that the inferred electron transport properties are in agreement with a variety of reference calculations, except for the electron viscosity, where a substantive decrease is observed when compared to classical models.

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