2013
DOI: 10.1103/physrevb.87.174105
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Hydrogen-helium demixing from first principles: From diamond anvil cells to planetary interiors

Abstract: An accurate determination of the immiscibility of helium in hydrogen has a direct impact on the understanding of the interior structure and of the evolution of Jovian planets. We extend our previous work on hydrogen-helium mixtures (Ref. 12 ) to lower pressures and lower temperatures, across the molecular dissociation regime in hydrogen, to the low pressure molecular liquid. Using density functional theory-based molecular dynamics together with thermodynamic integration techniques, we calculate the Gibbs free… Show more

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Cited by 95 publications
(118 citation statements)
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“…The data also highlight the importance of localized rather than extended electronic changes in the warm dense noble gases, which may play an important role in chemical behavior. He electronic change has sometimes been expected to be not relevant to the miscibility question, on the argument that He remains insulating near demixing conditions (3,43); the data confirm this not to be the case. If He electronic changes controlled miscibility, then the insensitivity of He electronic properties to pressure (2,11,14,25,30) (Fig.…”
Section: Discussionmentioning
confidence: 85%
See 1 more Smart Citation
“…The data also highlight the importance of localized rather than extended electronic changes in the warm dense noble gases, which may play an important role in chemical behavior. He electronic change has sometimes been expected to be not relevant to the miscibility question, on the argument that He remains insulating near demixing conditions (3,43); the data confirm this not to be the case. If He electronic changes controlled miscibility, then the insensitivity of He electronic properties to pressure (2,11,14,25,30) (Fig.…”
Section: Discussionmentioning
confidence: 85%
“…Significant theoretical and observational evidence for phase separation of helium and neon in the hydrogen-rich outer envelopes of giant planets has been reported (1-8), yet questions over the nature and even existence of this phase separation remain (2,42,43). This is in part due to limited direct experimental data on the hydrogen-helium-neon system at the conditions of phase separation: although hydrogen is observed in a metallic state at the interior conditions of giant planets (44), measurements on the electronic character of helium and neon at relevant densities and temperatures have been limited (12,13,17,45).…”
Section: Discussionmentioning
confidence: 99%
“…To explain helium depletion compared to the protosolar value (0.270 ± 0.005, Bahcall & Pinsonneault 1995), we assume that a helium phase transition occurs at a pressure P sep , between 0.8 and 4 Mbar according to the immiscibility calculations of Morales et al (2013). Helium settles down, increasing the abundance at the deeper layer, which in turn accounts for the depleted amount in the outer envelope.…”
Section: Modeling Jupitermentioning
confidence: 99%
“…The group of Morales et al (2013) instead performed direct thermodynamic integrations, thus including nonideal contributions to the entropy of mixing, but at the expense of subtantially more sparse sampling in helium number fraction x He . The results of the two groups are in reasonable agreement, diverging most noticeably at temperatures 3000 K, which on a present-day Jupiter (or Saturn) adiabat is well outside the transition from molecular to metallic hydrogen predicted by either group.…”
Section: Hydrogen-helium Phase Separationmentioning
confidence: 99%
“…Although the thermodynamic conditions for phase separation of helium from liquid metallic hydrogen have been evaluated since the early work of Stevenson (1975) and Straus et al (1977), quantitative knowledge covering the relevant pressures and H-He mixing ratios has only become available over the past several years as a result of ab initio simulations making use of density functional theory molecular dynamics (Morales et al 2009;Lorenzen et al 2009Lorenzen et al , 2011Morales et al 2013). The present work demonstrates that using ab initio results for the H-He phase diagram, a differentiating non-adiabatic Jupiter comprised of hydrogen and helium surrounding a dense core of heavy elements explain Jupiter's evolutionary state at the solar age.…”
mentioning
confidence: 99%