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Properties of Dense Fluid Hydrogen and Helium in Giant Gas Planets
Author(s) -
Vorberger J.,
Tamblyn I.,
Bonev St. A.,
Militzer B.
Publication year - 2007
Publication title -
contributions to plasma physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.531
H-Index - 47
eISSN - 1521-3986
pISSN - 0863-1042
DOI - 10.1002/ctpp.200710050
Subject(s) - helium , hydrogen , gas giant , materials science , chemical physics , atomic physics , molecule , ab initio , molecular dynamics , thermodynamics , planet , physics , chemistry , computational chemistry , exoplanet , quantum mechanics , astrophysics
Abstract Equilibrium properties of hydrogen‐helium mixtures under thermodynamic conditions found in the interior of giant gas planets are studied by means of density functional theory molecular dynamics simulations. Special emphasis is placed on the molecular‐to‐atomic transition in the fluid phase of hydrogen in the presence of helium. Helium has a substantial influence on the stability of hydrogen molecules. The molecular bond is strengthened and its length is shortened as a result of the increased localization of the electron charge around the helium atoms, which leads to more stable hydrogen molecules compared to pure hydrogen for the same thermodynamic conditions. The ab initio treatment of the mixture enables us to investigate the structure of the liquid and to discuss hydrogen‐hydrogen, helium‐helium, and hydrogen‐helium correlations on the basis of pair correlation functions. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)