Ab Initio Calculation of the Miscibility Diagram for Hydrogen-Helium Mixtures

作者:Schoettler Manuel; Redmer Ronald
来源:Physical Review Letters, 2018, 120(11): 115703.
DOI:10.1103/PhysRevLett.120.115703

摘要

We use finite-temperature density functional theory coupled to classical molecular dynamics simulation to calculate the miscibility gap of hydrogen-helium mixtures. The van der Waals density functional (vdW-DF) theory is used, which leads to lower demixing temperatures compared to computations using the Perdew-Burke-Ernzerhof functional. Our calculations suggest that current Jupiter models are most likely too hot to allow demixing in the interior. A Jupiter isentrope based on our vdW-DF data is presented. Our demixing phase diagram still predicts phase separation in Saturn, but in a significantly reduced fraction of its volume.

  • 出版日期2018-3-16