Hannover 2020 – wissenschaftliches Programm

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P: Fachverband Plasmaphysik

P 10: Poster Session 2

P 10.1: Poster

Dienstag, 10. März 2020, 16:30–18:30, Empore Lichthof

High-pressure melting line of helium from ab initio calculations — Martin Preising and •Ronald Redmer — Institut für Physik, Universität Rostock, D-18051 Rostock

Knowledge of the high-pressure melting line of helium up to the TPa region is important to astrophysics, e.g., for the determination of the region of hydrogen-helium phase separation as predicted in the interior of gas giants like Saturn and Jupiter. We applied two-phase simulations to directly calculate the high-pressure melting line of helium from 425 to 10 000 K and from 15 GPa to 35 TPa by using molecular dynamics based on density-functional theory. The implementation of the two-phase simulation method and the relaxation of the simulation to an equilibrium state was studied in detail, as well as its convergence with respect to particle number. We performed extensive two-phase simulations with the Perdew, Burke and Ernzerhof (PBE) and the van der Waals density functional (vdW-DF) exchange-correlation functional and found almost identical results. The P(T) melting line shows a slight downward curvature at higher pressures but not as pronounced as predicted in earlier studies.