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Theoretical study of Earth/planet-forming materials in Earth's inner core and deep inside of exoplanets

Research Project

Project/Area Number 17K05627
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Solid earth and planetary physics
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) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2019: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywords第一原理計算 / 高圧相転移 / スーパーアース / 外核 / 液体鉄合金 / ポストポストペロブスカイト / 低圧アナログ物質 / 超高圧 / 相転移 / 地球外核 / 地球惑星構成物質 / 超高圧物性 / 超高圧相転移 / 地球惑星物質 / 固体地球物理学 / 計算物理 / 高圧力物性
Outline of Final Research Achievements

・We performed first-principles molecular dynamics simulations on liquid iron alloys with hydrogen, oxygen, carbon, sulfur, and silicon. By comparing the computational results with seismic observation, we have constrained the kind and amount of the light elements in the outer core of the Earth. Then, we have determined the chemical composition of the outer core which shows the best coincidence with the seismic observation.
・For the Mg-Si-O system, we have predicted the post-post-perovskite transitions which are expected to occur in deep interiors of super-Earths. Under ultrahigh pressures, MgSiO3 PPV should undergo the three-stage dissociations. When MgSiO3 PPV coexists with MgO or SiO2, they should recombine. In addition, we have proposed that Mg-Ge-O and Na-Mg-F systems can be used as useful low-pressure analogs of the Mg-Si-O system.

Academic Significance and Societal Importance of the Research Achievements

・地球外核の化学組成は、地球物理学において長年未解決であり続ける問題である。本研究はこの問題の解決に向けて大きな一歩となり、さらに今後どのような研究が必要なのかの指針を示した。
・2019年のノーベル物理学賞の対象になったことからも明らかな通り、近年数多く見つかっている系外惑星への注目は非常に高まっている。地球型系外惑星(スーパーアース)の内部構造を明らかにする上で、本研究が予言した相転移は最も基本的な情報の一つとなる。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (26 results)

All 2020 2019 2018 2017

All Journal Article (12 results) (of which Int'l Joint Research: 8 results,  Peer Reviewed: 12 results,  Acknowledgement Compliant: 1 results) Presentation (14 results) (of which Int'l Joint Research: 11 results,  Invited: 2 results)

  • [Journal Article] Chemical compositions of the outer core examined by first principles calculations2020

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

      Earth and Planetary Science Letters

      Volume: 531 Pages: 116009-116009

    • DOI

      10.1016/j.epsl.2019.116009

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Stability of fcc phase FeH to 137 GPa2020

    • Author(s)
      Chie Kato, Koichiro Umemoto, Kenji Ohta, Shoh Tagawa, Kei Hirose, and Yasuo Ohishi
    • Journal Title

      American Mineralogist

      Volume: Accepted

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First‐Principles Determination of the Dissociation Phase Boundary of Phase H MgSiO 4 H 22019

    • Author(s)
      Tsuchiya Jun、Umemoto Koichiro
    • Journal Title

      Geophysical Research Letters

      Volume: 46 Issue: 13 Pages: 7333-7336

    • DOI

      10.1029/2019gl083472

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio exploration of post-PPV transitions in low-pressure analogs of MgSiO32019

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

      Physical Review Materials

      Volume: 3 Issue: 12 Pages: 123601-123601

    • DOI

      10.1103/physrevmaterials.3.123601

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Mass-dependent dynamics of terrestrial exoplanets using ab initio mineral properties2019

    • Author(s)
      van den Berg A.P.、Yuen D.A.、Umemoto K.、Jacobs M.H.G.、Wentzcovitch R.M.
    • Journal Title

      Icarus

      Volume: 317 Pages: 412-426

    • DOI

      10.1016/j.icarus.2018.08.016

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems2019

    • Author(s)
      Qin Tian、Zhang Qi、Wentzcovitch Renata M.、Umemoto Koichiro
    • Journal Title

      Computer Physics Communications

      Volume: 237 Pages: 199-207

    • DOI

      10.1016/j.cpc.2018.11.003

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Ab initio study of water speciation in forsterite: Importance of the entropic effect2018

    • Author(s)
      Qin Tian、Wentzcovitch Renata M.、Umemoto Koichiro、Hirschmann Marc M.、Kohlstedt David L.
    • Journal Title

      American Mineralogist

      Volume: 103 Issue: 5 Pages: 692-699

    • DOI

      10.2138/am-2018-6262

    • Related Report
      2018 Research-status Report 2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Phase transitions in MgSiO3 post-perovskite in super-Earth mantles2017

    • Author(s)
      K. Umemoto, R. M. Wentzcovitch, S. Q. Wu, M. Ji, C. Z. Wang, and K. M. Ho
    • Journal Title

      Earth and Planetary Science Letters

      Volume: 478 Pages: 40-45

    • DOI

      10.1016/j.epsl.2017.08.032

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] First principles study of volume isotope effects in ices VIII and X2017

    • Author(s)
      K. Umemoto and R. M. Wentzcovitch
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 56 Issue: 5S3 Pages: 05FA03-05FA03

    • DOI

      10.7567/jjap.56.05fa03

    • NAID

      210000147793

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] First-Principles Study of Phase Transitions of Minerals in Super-Earths2017

    • Author(s)
      梅本幸一郎
    • Journal Title

      The Review of High Pressure Science and Technology

      Volume: 27 Issue: 3 Pages: 205-212

    • DOI

      10.4131/jshpreview.27.205

    • NAID

      130006145489

    • ISSN
      0917-639X, 1348-1940
    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] SiO2 crystallization and compositional evolution of the Earth’s core2017

    • Author(s)
      K. Hirose, G. Morard, R. Sinmyo, K. Umemoto, J. Hernlund, G. Helffrich, and S. Labrosse
    • Journal Title

      Nature

      Volume: 543 Issue: 7643 Pages: 99-102

    • DOI

      10.1038/nature21367

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Phase transition in SiC from zinc-blende to rock-salt structure in carbon-rich extrasolar planets2017

    • Author(s)
      Y. Kidokoro, K. Umemoto, K. Hirose, and Y. Ohishi
    • Journal Title

      American Mineralogist

      Volume: 102 Issue: 11 Pages: 2230-2234

    • DOI

      10.2138/am-2017-6033

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Effect of impurity on post-post-perovskite transition of MgSiO3 by first principles2019

    • Author(s)
      Koichiro Umemoto
    • Organizer
      Japan Geoscience Union Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Effect of impurity on post-post-perovskite transition of MgSiO3 by first principles2019

    • Author(s)
      Koichiro Umemoto
    • Organizer
      AGU Fall meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 第一原理計算によるMgSiO3ポストペロブスカイト分解反応へのアルミニウム不純物の影響2019

    • Author(s)
      梅本幸一郎
    • Organizer
      第60回高圧討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Phase transitions in mantle silicates and the internal structure of terrestrial exoplanets2019

    • Author(s)
      K. Umemoto
    • Organizer
      American Physics Society March Meeting 2019 (Boston)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Ab initio search for low-pressure analogs of MgSiO3 post-perovskite at ultrahigh pressures2018

    • Author(s)
      K. Umemoto
    • Organizer
      American Physics Society March Meeting 2018 (Los Angeles)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Low-pressure analogs of MgSiO3 post-perovskite at ultrahigh pressures by first principle2018

    • Author(s)
      K. Umemoto
    • Organizer
      Japan Geoscience Union Meeting 2018 (Makuhari)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Post-post-perovskite transitions in MgSiO3 by first principles2018

    • Author(s)
      K. Umemoto
    • Organizer
      IUCr High Pressure 2018 (Honolulu)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] MgSiO3ポストポストペロブスカイト転移のためのアナログ物質の探索2018

    • Author(s)
      梅本幸一郎
    • Organizer
      第59回高圧討論会(岡山)
    • Related Report
      2018 Research-status Report
  • [Presentation] iquid Iron Alloys with Light Elements at Outer Core Conditions by First Principles2018

    • Author(s)
      K. Umemoto
    • Organizer
      AGU Fall meeting, 2018 (Washington DC)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Ab initio search for low-pressure analogs of MgSiO3 post-perovskite at ultrahigh pressures2018

    • Author(s)
      K. Umemoto
    • Organizer
      APS March Meeting 2018
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Fate of MgSiO3 Post-Perovskite at Terapascal Pressures2017

    • Author(s)
      K. Umemoto
    • Organizer
      Japan Geoscience Union Meeting 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Fate of MgSiO3 Post-Perovskite at Terapascal Pressures2017

    • Author(s)
      K. Umemoto
    • Organizer
      AIRAPT 26
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 地球型系外惑星深部におけるMgSiO3ポストペロブスカイトの構造相転移2017

    • Author(s)
      梅本幸一郎
    • Organizer
      第58回高圧討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] First principles study of iron-bearing MgO under ultrahigh pressure2017

    • Author(s)
      K. Umemoto
    • Organizer
      AGU Fall Meeting 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research

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Published: 2017-04-28   Modified: 2021-02-19  

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