Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
arXiv:2501.10594 · doi:10.1103/n1jt-r2rj
Abstract
Accurate determination of the equation of state of dense hydrogen is essential for understanding gas giants. Currently, there is still no consensus on methods for calculating its entropy, which play a fundamental role and can result in qualitatively different predictions for Jupiter's interior. Here, we investigate various aspects of entropy calculation for dense hydrogen based on ab initio molecular dynamics simulations. Specifically, we employ the recently developed flow matching method to validate the accuracy of the traditional thermodynamic integration approach. We then clearly identify pitfalls in previous attempts and propose a reliable framework for constructing the hydrogen equation of state, which is accurate and thermodynamically consistent across a wide range of temperature and pressure conditions. This allows us to conclusively address the long-standing discrepancies in Jupiter's adiabat among earlier studies, demonstrating the potential of our approach for providing reliable equations of state of diverse materials.
7+7 pages, 4+8 figures
References in corpus (23)
- Thermophysical properties of warm dense hydrogen
- Hydrogen-Helium Mixtures in the Interiors of Giant Planets
- Jupiter models with improved ab initio hydrogen EOS (H-REOS.2)
- New models of Jupiter in the context of Juno and Galileo
- A new equation of state for dense hydrogen-helium mixtures
- Ab Initio Equation of State for Hydrogen-Helium Mixtures with Recalibration of the Giant-Planet Mass-Radius Relation
- Ab initio equations of state for hydrogen (H-REOS.3) and helium (He-REOS.3) and their implications for the interior of Brown Dwarfs
- Targeted free energy perturbation
- Phase diagram of hydrogen and a hydrogen-helium mixture at planetary conditions by Quantum Monte Carlo simulations
- Jupiter internal structure: the effect of different equations of state
- Jupiter's inhomogeneous envelope
- Equation of state of metallic hydrogen from Coupled Electron-Ion Monte Carlo simulations
- TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo
- Jupiter's interior from Juno: Equation-of-state uncertainties and dilute core extent
- Data-Driven Prediction of Complex Crystal Structures of Dense Lithium
- Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen
- Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo
- Using bijective maps to improve free energy estimates
- Equation of state for dense hydrogen and plasma phase transition
- Theoretical evidence of H-He demixing under Jupiter and Saturn conditions
- Deep Variational Free Energy Approach to Dense Hydrogen
- Benchmarking the ab initio hydrogen equations of state for the interior structure of Jupiter
- Bounding free energy difference with flow matching