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

Journal article

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.

Authors: Svensson, P; Hollebon, P; Plummer, D; Vinko, SAM; Gregori, G

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: American Physical Society
• Journal: Physical Review E
• Volume: 110
• Article number: 055205
• Publication date: 2024-11-18
• Acceptance date: 2025-03-05
• DOI: 10.1103/PhysRevE.110.055205
• EISSN: 2470-0053
• ISSN: 2470-0045
• Language: 1English
• Keywords: wave packet molecular dynamics; transport coefficients; warm dense matter; electron dynamics