Matter under extreme conditions as relevant for planetary interior and dynamo models

该项目的目标是为行星发电机的模拟和行星内部模型提供准确的输入数据。我们将基于有限温度密度泛函理论，对极端条件下与巨行星内部相关的物质进行广泛的从头算分子动力学模拟。将计算氢和氦（木星、土星）以及H2O、CH4和NH3（天王星、海王星）的状态方程、电导率和导热率以及运动粘度。一个重要的问题是多组分系统的研究，从H-He混合物开始，然后允许额外的成分（C， N， O），最终处理现实的行星组成（合成海王星）。从头算数据将用于PlanetMag优先程序(i)作为数值发电机模拟的输入，以及（ii）构建太阳巨行星的先进内部模型。因此，可以大大减少目前用于发电机模拟的流体层和核心的状态方程、电导率和粘度的不确定性。结合PlanetMag优先程序中的结构和发电机模型，可以开发不仅与重力数据一致而且与行星磁场一致的内部模型。

The goal of the project is to provide accurate input data for simulations of planetary dynamos and for models of planetary interiors. We will perform extensive ab initio molecular dynamics simulations based on finite-temperature density functional theory for matter under extreme conditions as relevant for the interiors of giant planets. The equation of state, the electrical and thermal conductivity, and the kinematic viscosity will be calculated for hydrogen and helium (Jupiter, Saturn) as well as for H2O, CH4, and NH3 (Uranus, Neptune). An important issue is the study of multi-component systems, starting from H-He mixtures, then allowing for additional components (C, N, O), and ultimately treating realistic planetary compositions (synthetic Neptune). The ab initio data will be used in the PlanetMag priority program (i) as input into numerical dynamo simulations, and (ii) to construct advanced interior models for solar giant planets. Thus, uncertainties of the equation of state, the electrical conductivity and viscosity in the fluid layers and in the core that are presently used in dynamo simulations can be reduced substantially. Combining structure and dynamo models in the PlanetMag priority program allows to develop interior models that are not only consistent with the gravity data but also with the magnetic field of the planet.