Gibbs-ensemble Monte Carlo simulation of H2He mixtures

Armin Bergermann, Martin French, Manuel Schöttler, and Ronald Redmer
Phys. Rev. E 103, 013307 – Published 12 January 2021

Abstract

We explore the performance of the Gibbs-ensemble Monte Carlo simulation technique by calculating the miscibility gap of H2He mixtures with analytical exponential-six potentials. We calculate several demixing curves for pressures up to 500 kbar and for temperatures up to 1800K and predict a H2He miscibility diagram for the solar He abundance for temperatures up to 1500K and determine the demixing region. Our results are in good agreement with ab initio simulations in the nondissociated region of the phase diagram. However, the particle number necessary to converge the Gibbs-ensemble Monte Carlo method is yet too large to offer a feasible combination with ab initio electronic structure calculation techniques, which would be necessary at conditions where dissociation or ionization occurs.

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  • Received 29 September 2020
  • Accepted 24 November 2020

DOI:https://doi.org/10.1103/PhysRevE.103.013307

©2021 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & Thermodynamics

Authors & Affiliations

Armin Bergermann, Martin French, Manuel Schöttler, and Ronald Redmer

  • Institut für Physik, Universität Rostock, 18051 Rostock, Germany

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Issue

Vol. 103, Iss. 1 — January 2021

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