Emma R. Stoutenburg, Razvan Caracas, Natalia V. Solomatova, Andrew J. Campbell
{"title":"Equation of State, Structure, and Transport Properties of Iron Hydride Melts at Planetary Interior Conditions","authors":"Emma R. Stoutenburg, Razvan Caracas, Natalia V. Solomatova, Andrew J. Campbell","doi":"10.1029/2024JE008525","DOIUrl":null,"url":null,"abstract":"<div>\n \n \n <section>\n \n <p>Iron hydrides are a potentially dominant component of the metallic cores of planets, primarily because of hydrogen's ubiquity in the universe and affinity for iron. Using ab initio molecular dynamics, we examine iron hydrides with 0.1, 0.33, 0.5, and 0.6 mol fraction hydrogen up to 100 GPa between 3,000 and 5,000 K to describe how hydrogen content affects the melt structure, hydrogen speciation, equation of state (EOS), atomic diffusivity, and melt viscosity. We find that the addition of hydrogen decreases the average Fe–Fe coordination number and lengthens Fe–Fe bonds, while Fe–H coordination number increases. The pair distribution function of hydrogen at low pressure indicates the presence of molecular hydrogen. By tracking chemical speciation, we show that the amount of molecular hydrogen increases and the number of iron in H<sub>x≥1</sub>Fe<sub>y≥0</sub> clusters decreases as the hydrogen concentration increases. We parameterize a pressure, volume, temperature, and composition EOS and show that the molar volume and Grüneisen parameter of the melts decrease while the compressibility and thermal expansivity increase as a function of hydrogen concentration. We find that hydrogen acts as a lubricant in the melts as the iron and hydrogen become more diffusive and the melts become more inviscid as the hydrogen concentration increases. We estimate 2.7 wt% hydrogen in the Martian core and 0.49–1.1 wt% hydrogen in Earth's outer core based on comparisons to seismic models, with the assumption that the cores are pure liquid iron-hydrogen alloy, and we compare the small exoplanet population with mass-radius curves of iron hydride planets.</p>\n </section>\n </div>","PeriodicalId":16101,"journal":{"name":"Journal of Geophysical Research: Planets","volume":"129 10","pages":""},"PeriodicalIF":3.9000,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1029/2024JE008525","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Geophysical Research: Planets","FirstCategoryId":"89","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1029/2024JE008525","RegionNum":1,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"GEOCHEMISTRY & GEOPHYSICS","Score":null,"Total":0}
引用次数: 0
Abstract
Iron hydrides are a potentially dominant component of the metallic cores of planets, primarily because of hydrogen's ubiquity in the universe and affinity for iron. Using ab initio molecular dynamics, we examine iron hydrides with 0.1, 0.33, 0.5, and 0.6 mol fraction hydrogen up to 100 GPa between 3,000 and 5,000 K to describe how hydrogen content affects the melt structure, hydrogen speciation, equation of state (EOS), atomic diffusivity, and melt viscosity. We find that the addition of hydrogen decreases the average Fe–Fe coordination number and lengthens Fe–Fe bonds, while Fe–H coordination number increases. The pair distribution function of hydrogen at low pressure indicates the presence of molecular hydrogen. By tracking chemical speciation, we show that the amount of molecular hydrogen increases and the number of iron in Hx≥1Fey≥0 clusters decreases as the hydrogen concentration increases. We parameterize a pressure, volume, temperature, and composition EOS and show that the molar volume and Grüneisen parameter of the melts decrease while the compressibility and thermal expansivity increase as a function of hydrogen concentration. We find that hydrogen acts as a lubricant in the melts as the iron and hydrogen become more diffusive and the melts become more inviscid as the hydrogen concentration increases. We estimate 2.7 wt% hydrogen in the Martian core and 0.49–1.1 wt% hydrogen in Earth's outer core based on comparisons to seismic models, with the assumption that the cores are pure liquid iron-hydrogen alloy, and we compare the small exoplanet population with mass-radius curves of iron hydride planets.
期刊介绍:
The Journal of Geophysical Research Planets is dedicated to the publication of new and original research in the broad field of planetary science. Manuscripts concerning planetary geology, geophysics, geochemistry, atmospheres, and dynamics are appropriate for the journal when they increase knowledge about the processes that affect Solar System objects. Manuscripts concerning other planetary systems, exoplanets or Earth are welcome when presented in a comparative planetology perspective. Studies in the field of astrobiology will be considered when they have immediate consequences for the interpretation of planetary data. JGR: Planets does not publish manuscripts that deal with future missions and instrumentation, nor those that are primarily of an engineering interest. Instrument, calibration or data processing papers may be appropriate for the journal, but only when accompanied by scientific analysis and interpretation that increases understanding of the studied object. A manuscript that describes a new method or technique would be acceptable for JGR: Planets if it contained new and relevant scientific results obtained using the method. Review articles are generally not appropriate for JGR: Planets, but they may be considered if they form an integral part of a special issue.