Liquid iron‐hydrogen alloys at outer core conditions by first‐principles calculations

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  • Koichiro Umemoto
    Earth‐Life Science Institute Tokyo Institute of Technology Tokyo Japan
  • Kei Hirose
    Earth‐Life Science Institute Tokyo Institute of Technology Tokyo Japan

書誌事項

公開日
2015-09-28
資源種別
journal article
権利情報
  • http://onlinelibrary.wiley.com/termsAndConditions#vor
DOI
  • 10.1002/2015gl065899
公開者
American Geophysical Union (AGU)

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説明

<jats:title>Abstract</jats:title><jats:p>We examined the density, bulk sound (compressional) velocity, and Grüneisen parameter of liquid pure Fe, Fe<jats:sub>100</jats:sub>H<jats:sub>28</jats:sub> (0.50 wt % H), Fe<jats:sub>88</jats:sub>H<jats:sub>40</jats:sub> (0.81 wt % H), and Fe<jats:sub>76</jats:sub>H<jats:sub>52</jats:sub> (1.22 wt % H) at Earth's outer core pressure and temperature (<jats:italic>P‐T</jats:italic>) conditions (~100 to 350 GPa, 4000 to 7000 K) based on first‐principles molecular dynamics calculations. The results demonstrate that the thermodynamic Grüneisen parameter of liquid iron alloy decreases with increasing pressure, temperature, and hydrogen concentration, indicating a relatively small temperature gradient in the outer core when hydrogen is present. Along such temperature profile, both the density and compressional velocity of liquid iron containing ~1 wt % hydrogen match seismological observations. It suggests that hydrogen could be a primary light element in the core, although the shear velocity of the inner core is not reconciled with solid Fe‐H alloy and thus requires another impurity element.</jats:p>

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