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First principles study of solid iron alloys under ultrahigh pressure and temperature

Research Project

Project/Area Number 21K03698
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 17040:Solid earth sciences-related
Research InstitutionTokyo Institute of Technology

Principal Investigator

Umemoto Koichiro  東京工業大学, 地球生命研究所, 研究員 (60726991)

Project Period (FY) 2021-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2023: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2022: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2021: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords地球内核 / 超高圧高音条件 / 鉄合金 / 第一原理計算 / 固体鉄合金 / 高圧高温条件 / 高温高圧条件 / 高圧力
Outline of Research at the Start

地球の中心部である核は、鉄と軽元素(ケイ素、酸素、硫黄、炭素、水素)との合金でできている。核は液体から成る外核と、固体から成る内核の2層に分かれている。本研究では、超高圧超高温下での固体鉄合金の性質をスーパーコンピュータによる計算によって明らかにし、内核にとって最も基本的な情報である、内核に存在する軽元素の種類と濃度を明らかにしていくことを目標とする。

Outline of Final Research Achievements

The inner core of the Earth consists of solid iron alloy. However, its chemical composition has not been constrained yet. Since pressure and temperature of the inner core are extremely high, it is still difficult to conduct experiments to measure density and sound velocities on these conditions. Therefore we performed highly reliable first principles study to calculate densities of iron alloys. Compared with some previous similar studies, we predicted a stronger dependence of the density of the inner core on the hydrogen concentration. Based on this prediction, with the presence of hydrogen, amounts of silicon and sulfur smaller than those predicted previously may be able to explain the density deficit of the inner core.

Academic Significance and Societal Importance of the Research Achievements

地球の核が主に鉄からできており、それが液体の外核と固体の内核に分かれていること、そしてそれらが純粋な鉄ではなく軽元素との合金であるとは地震波測定からわかっている。地球の核の化学組成は、地球物理学において長年の未解決問題の一つであり、地球の進化の過程、さらには生命の起源を知る上で重要な要素である。先行研究と異なる密度の水素依存性を予言した本研究は、水素の存在によりケイ素、硫黄の存在も大きく束縛されるであろうことも示唆し、内核の化学組成の問題解決に向けて大きな一歩となる。

Report

(4 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Research-status Report
  • 2021 Research-status Report
  • Research Products

    (9 results)

All 2024 2023 2022 2021

All Journal Article (6 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 6 results,  Open Access: 3 results) Presentation (3 results)

  • [Journal Article] Equation of State of Liquid Fe7C3 and Thermodynamic Modeling of the Liquidus Phase Relations in the Fe-C System2024

    • Author(s)
      Yokoo Shunpei、Umemoto Koichiro、Hirose Kei
    • Journal Title

      Journal of Geophysical Research: Solid Earth

      Volume: 129 Issue: 3

    • DOI

      10.1029/2023jb028116

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] High-pressure phase of cold-compressed bulk graphite and graphene nanoplatelets2023

    • Author(s)
      Efthimiopoulos Ilias、Stavrou Elissaios、Umemoto Koichiro、Mayanna Sathish、Torode Antonius、Smith Jesse S.、Chariton Stella、Prakapenka Vitali B.、Goncharov Alexander F.、Wang Yuejian
    • Journal Title

      Physical Review B

      Volume: 107 Issue: 18 Pages: 184102-184102

    • DOI

      10.1103/physrevb.107.184102

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Melting phase relations in Fe?Si?H at high pressure and implications for Earth’s inner core crystallization2022

    • Author(s)
      Hikosaka Koutaro、Tagawa Shoh、Hirose Kei、Okuda Yoshiyuki、Oka Kenta、Umemoto Koichiro、Ohishi Yasuo
    • Journal Title

      Scientific Reports

      Volume: 12 Issue: 1 Pages: 10000-10000

    • DOI

      10.1038/s41598-022-14106-z

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Melting experiments on Fe-C-O to 200?GPa; liquidus phase constraints on core composition2022

    • Author(s)
      Sakai F.、Hirose K.、Umemoto K.
    • Journal Title

      Geochemical Perspectives Letters

      Volume: 22 Pages: 1-4

    • DOI

      10.7185/geochemlet.2218

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Ab initio prediction of an order-disorder transition in Mg2GeO4 : Implication for the nature of super-Earth's mantles2021

    • Author(s)
      Koichiro Umemoto and Renata M. Wentzcovitch
    • Journal Title

      Physical Review Materials

      Volume: 5 Issue: 9 Pages: 093604-093604

    • DOI

      10.1103/physrevmaterials.5.093604

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A cotunnite-type new high-pressure phase of Fe2S2021

    • Author(s)
      K. Oka, S. Tateno, Y. Kuwayama, K. Hirose, Y. Nakajima, K. Umemoto, N. Tsujino, and S. I. Kawaguchi,
    • Journal Title

      American Mineralogist

      Volume: -

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Presentation] First-principles prediction of order-disorder transition in Mg2GeO42021

    • Author(s)
      Koichiro Umemoto
    • Organizer
      JpGU meeting
    • Related Report
      2021 Research-status Report
  • [Presentation] NaMg2F5における秩序無秩序相転移2021

    • Author(s)
      梅本幸一郎
    • Organizer
      第62回高圧力学会
    • Related Report
      2021 Research-status Report
  • [Presentation] Temperature-induced phase transition in post-post-perovskite phases by first principles2021

    • Author(s)
      Koichiro Umemoto and Renata M. Wentzcovitch
    • Organizer
      AGU Fall meeting 2021
    • Related Report
      2021 Research-status Report

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Published: 2021-04-28   Modified: 2025-01-30  

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