Göttingen 2025 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
P: Fachverband Plasmaphysik
P 10: Poster Session I
P 10.34: Poster
Dienstag, 1. April 2025, 16:15–18:15, ZHG Foyer 1. OG
Thermal and DC Electrical Conductivities of Hydrogen at the Insulator-to-Metal Phase Transition from Ab Initio Calculations — •Martin Preising1, Ronald Redmer1, and Marcus Knudson2 — 1University of Rostock — 2Sandia National Labs, USA
The metallisation of fluid hydrogen under high pressures has a profound impact on planetary science [1]. While most experimental campaigns report transition pressures between 100 and 225GPa, a 2015 campaign reports significantly higher pressures around 300GPa [2].
Understanding and resolving this discrepancy requires calculations of thermal conductivities of shocked hydrogen in the vicinity of the metallisation, including ionic thermal conductivities [3].
We report on DC electrical conductivities, thermal electronic and thermal ionic heat conductivities from ab initio simulations. We employ the vdW-DF1 and vdW-DF2 exchange-correlation functional due their superior ability to predict experimental conductivities of dense hydrogen [4].
Electronic contributions show an increase of several orders of magnitude across the metallisation transition. The ionic thermal conductivities do not significantly change but provide the main contribution to the total thermal conductivity in the non-metallic and a significant contribution in the metallic regime.
[1] MP, RR et al., Astrophys. J. Suppl. Ser. 269, 47 (2023)
[2] MK, RR et al., Science 348, 6242 (2015)
[3] M. French, New J. Phys. 21, 023007 (2019)
[4] MK, MP, RR et al. Phys. Rev. B 98, 174110 (2018)
Keywords: Density Functional Theory; Hydrogen; Metallization; Thermal Conductivity; DC Electrical Conductivity