作者: J. Vorberger , I. Tamblyn , St. A. Bonev , B. Militzer
关键词: Ab initio 、 Materials science 、 Atomic physics 、 Gas giant 、 Hydrogen 、 Chemical physics 、 Helium 、 Molecular dynamics 、 Equation of state 、 Density functional theory 、 Electric 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