2007
DOI: 10.1002/ctpp.200710050
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Properties of Dense Fluid Hydrogen and Helium in Giant Gas Planets

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 th… Show more

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Cited by 20 publications
(11 citation statements)
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“…DFT-MD predicts a continuous transition from the molecular to a dissociated regime in fluid hydrogen as function of pressure 37,38 , which is consistent with quantum Monte Carlo simulations 9 . The dissociation transition in dense hydrogen is driven by the increasing overlap of molecular orbitals.…”
Section: Simulation Methodssupporting
confidence: 78%
“…DFT-MD predicts a continuous transition from the molecular to a dissociated regime in fluid hydrogen as function of pressure 37,38 , which is consistent with quantum Monte Carlo simulations 9 . The dissociation transition in dense hydrogen is driven by the increasing overlap of molecular orbitals.…”
Section: Simulation Methodssupporting
confidence: 78%
“…Uncritical parts are calculated by classical Monte Carlo simulations using potentials fitted to experiments. In agreement with first principle simulations [15,31], the obtained EOS predicts no plasma phase transition or a phase transition connected to the dissociation of molecules in the fluid.…”
supporting
confidence: 84%
“…This approximation neglects all interactions between hydrogen and helium. In Vorberger et al (2007aVorberger et al ( , 2007b, it was shown that this interaction leads to significant corrections in the derived pressures and energy but, more importantly, the presence of helium increases that stability of the hydrogen molecules for given T and P . These interaction effects also have an impact on the derived adiabat that will be discussed in the next section.…”
Section: Comparison Of Simulation Parametersmentioning
confidence: 99%