Schöttler Manuel, Redmer Ronald
Institut für Physik, Universität Rostock, D-18051 Rostock, Germany.
Phys Rev Lett. 2018 Mar 16;120(11):115703. doi: 10.1103/PhysRevLett.120.115703.
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.
我们使用有限温度密度泛函理论结合经典分子动力学模拟来计算氢 - 氦混合物的混溶间隙。采用了范德华密度泛函(vdW - DF)理论,与使用佩德韦 - 伯克 - 恩泽霍夫泛函的计算相比,该理论得出的分层温度更低。我们的计算表明,当前的木星模型内部温度很可能过高,以至于无法发生分层。基于我们的vdW - DF数据给出了一条木星等熵线。我们的分层相图仍预测土星会发生相分离,但相分离发生的体积占比会显著降低。