Properties of Dense Fluid Hydrogen and Helium in Giant Gas Planets

作者: J. Vorberger , I. Tamblyn , St. A. Bonev , B. Militzer

DOI: 10.1002/CTPP.200710050

关键词: Ab initioMaterials scienceAtomic physicsGas giantHydrogenChemical physicsHeliumMolecular dynamicsEquation of stateDensity functional theoryElectric charge

摘要: Equilibrium properties of hydrogen-helium mixtures under thermodynamic conditions found in the interior giant gas planets are studied by means density functional theory molecular dynamics simulations. Special emphasis is placed on molecular-to-atomic transition fluid phase hydrogen presence helium. Helium has a substantial influence stability o f molecules. The bond strengthened and its length shortened as result creased localization electron charge around helium atoms, which leads to more stable molecules compared pure for same conditions. ab initio treatment mixture enables us investigate struc ture liquid discuss hydrogen-hydrogen, helium-helium, correlations basis pair correlation functions. Copyright line will be provided publisher

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