当前位置: X-MOL 学术Phys. Rev. Lett. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Ab InitioCalculation of the Miscibility Diagram for Hydrogen-Helium Mixtures
Physical Review Letters ( IF 8.6 ) Pub Date : 2018-03-16 00:00:00 , DOI: 10.1103/physrevlett.120.115703
Manuel Schöttler , Ronald Redmer

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.

中文翻译:

氢-氦混合物的混溶图的从头算

我们使用有限温度密度泛函理论结合经典的分子动力学模拟来计算氢-氦混合物的混溶间隙。使用范德华密度泛函(vdW-DF)理论,与使用Perdew-Burke-Ernzerhof泛函的计算相比,可降低混合温度。我们的计算表明,当前的木星模型很可能太热而无法在内部进行混合。介绍了基于我们的vdW-DF数据的木星等熵。我们的混合相图仍然可以预测土星的相分离,但是会大大减少其体积。
更新日期:2018-03-16
down
wechat
bug