Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching

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...

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Main Authors: Hao Xie, Saburo Howard, Guglielmo Mazzola
Format: Article
Language:English
Published: American Physical Society 2025-08-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/n1jt-r2rj
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author Hao Xie
Saburo Howard
Guglielmo Mazzola
author_facet Hao Xie
Saburo Howard
Guglielmo Mazzola
author_sort Hao Xie
collection DOAJ
description 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.
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issn 2643-1564
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series Physical Review Research
spelling doaj-art-de4eb8480d614c36b8a75e7d03bd05a52025-08-20T04:01:08ZengAmerican Physical SocietyPhysical Review Research2643-15642025-08-0173L03202810.1103/n1jt-r2rjAccurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matchingHao XieSaburo HowardGuglielmo MazzolaAccurate 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.http://doi.org/10.1103/n1jt-r2rj
spellingShingle Hao Xie
Saburo Howard
Guglielmo Mazzola
Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
Physical Review Research
title Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
title_full Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
title_fullStr Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
title_full_unstemmed Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
title_short Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
title_sort accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching
url http://doi.org/10.1103/n1jt-r2rj
work_keys_str_mv AT haoxie accurateandthermodynamicallyconsistenthydrogenequationofstateforplanetarymodelingwithflowmatching
AT saburohoward accurateandthermodynamicallyconsistenthydrogenequationofstateforplanetarymodelingwithflowmatching
AT guglielmomazzola accurateandthermodynamicallyconsistenthydrogenequationofstateforplanetarymodelingwithflowmatching