Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations

Guglielmo Mazzola, Ravit Helled, and Sandro Sorella
Phys. Rev. Lett. 120, 025701 – Published 12 January 2018
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Abstract

Understanding planetary interiors is directly linked to our ability of simulating exotic quantum mechanical systems such as hydrogen (H) and hydrogen-helium (H-He) mixtures at high pressures and temperatures. Equation of state (EOS) tables based on density functional theory are commonly used by planetary scientists, although this method allows only for a qualitative description of the phase diagram. Here we report quantum Monte Carlo (QMC) molecular dynamics simulations of pure H and H-He mixture. We calculate the first QMC EOS at 6000 K for a H-He mixture of a protosolar composition, and show the crucial influence of He on the H metallization pressure. Our results can be used to calibrate other EOS calculations and are very timely given the accurate determination of Jupiter’s gravitational field from the NASA Juno mission and the effort to determine its structure.

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  • Received 2 November 2017

DOI:https://doi.org/10.1103/PhysRevLett.120.025701

© 2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied PhysicsGravitation, Cosmology & Astrophysics

Authors & Affiliations

Guglielmo Mazzola1,*, Ravit Helled2, and Sandro Sorella3

  • 1Theoretische Physik, ETH Zurich, 8093 Zurich, Switzerland
  • 2Institute for Computational Science, Center for Theoretical Astrophysics and Cosmology, University of Zurich, 8057 Zurich, Switzerland
  • 3International School for Advanced Studies (SISSA) and INFM Democritos National Simulation Center, via Bonomea 265, 34136 Trieste, Italy

  • *gmazzola@phys.ethz.ch

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Issue

Vol. 120, Iss. 2 — 12 January 2018

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