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完全な氷Icを基軸とした新たな氷の物理化学の展開

Research Project

Project/Area Number 18H01936
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 32010:Fundamental physical chemistry-related
Research InstitutionThe University of Tokyo

Principal Investigator

小松 一生  東京大学, 大学院理学系研究科(理学部), 准教授 (50541942)

Co-Investigator(Kenkyū-buntansha) 町田 真一  一般財団法人総合科学研究機構(総合科学研究センター(総合科学研究室)及び中性子科学センター(研究開発, 中性子科学センター, 研究員 (30554373)
則竹 史哉  山梨大学, 大学院総合研究部, 助教 (50755569)
Project Period (FY) 2018-04-01 – 2022-03-31
Project Status Granted (Fiscal Year 2021)
Budget Amount *help
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2021: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2020: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2019: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2018: ¥10,140,000 (Direct Cost: ¥7,800,000、Indirect Cost: ¥2,340,000)
Keywords氷 / 高圧 / 中性子回折 / 分子動力学計算 / 積層不整 / 密度汎関数法
Outline of Annual Research Achievements

立方晶氷(ice Ic)は、通常の氷である六方晶氷(ice Ih)を除けば、地球圏内で唯一天然に産する氷であり、宇宙空間にも普遍的に存在する可能性の高い重要な氷
の多形の一つである。一方で、これまで合成されたice Icには全て例外なく積層不整があり、完全なice Icの存在は未だ確認されていない。本研究では、世界で
初めて積層不整のない完全なice Icを合成し、このice Icを基軸として新たな氷の物理化学を開拓することを目的とする。
2020年度は、これまで進めてきた積層不整のないice Icの中性子回折実験について詳細な解析の結果を原著論文としてまとめ、Nature Communications誌に掲載された。この成果は、Nature Communications誌のEditor's highlightに選出されたほか、Nature Materials誌のNews&Viewsでも紹介され(C.G. Salzmann & B.J. Murray, Nature Materials, 19, 581-589)、大きな注目を集めた。
さらに、2020年度は、新たな氷の多形となる氷XIXを発見した。氷XIXは水を室温で加圧すると最初に出現する水素無秩序相である氷VIの2つ目の秩序相であるが、一つの無秩序相に対して初めて複数の秩序相が発見された例となった。本成果は他の無秩序相にも同様に複数の秩序相の存在を示唆するものであり、今後の氷の物理化学研究に重要な意味を持つと思われる。この成果も、Nature Communications誌に掲載され、さらにEditor's highlightにも選出された。

Current Status of Research Progress
Current Status of Research Progress

1: Research has progressed more than it was originally planned.

Reason

本研究は、積層不整のないice Icを基軸として、新たな氷の物理化学を展開することを目的としているが、高圧下での氷の物性を調べていく上で、偶然、ice XIXを発見することにも成功した。ice XIXは、単に新たな多形の一つであるというばかりでなく、ice VIの2つ目の秩序相であり、一つの無秩序相から複数の秩序相が出現しうることを示した初めての例となったという点で、物理化学的に大きな意味を持つ発見になった。このice XIXの発見を契機に、他の秩序相の探査も今後急速に進んでいくことが予想される。ice XIXの発見は、研究の計画段階では予期していなかった成果であり、かつ、今後の氷の物理化学に大きな影響を与えうる成果であるため、当初の計画以上に進展していると判断した。

Strategy for Future Research Activity

昨年度発見したice XIXは、ice VIのみならず、他の無秩序相でも複数の秩序相の存在を示唆する。そこで、今年度はice VIや他の無秩序相について、低温高圧下でのX線回折・ラマンスペクトル・中性子回折等の各種測定を行い、新たな氷多形の探査を進める。また、昨年度に引き続き、積層不整のないice Icの物性の調査、特に水素ガスの再吸着実験や熱分析実験を進め、水素ハイドレートとice Icとの間の熱力学的な相関係を明らかにする。

Report

(3 results)
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report

Research Products

(25 results)

All 2021 2020 2019 2018 Other

All Int'l Joint Research (3 results) Journal Article (16 results) (of which Int'l Joint Research: 10 results,  Peer Reviewed: 15 results,  Open Access: 3 results) Presentation (6 results) (of which Int'l Joint Research: 2 results,  Invited: 3 results)

  • [Int'l Joint Research] Sorbonne Univ.(フランス)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] Sorbonne Univ.(フランス)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] Sorbonne Univ.(フランス)

    • Related Report
      2018 Annual Research Report
  • [Journal Article] Observation of Dihydrogen Bonds in High-Pressure Phases of Ammonia Borane by X-ray and Neutron Diffraction Measurements2021

    • Author(s)
      Nakano Satoshi、Sano-Furukawa Asami、Hattori Takanori、Machida Shinichi、Komatsu Kazuki、Fujihisa Hiroshi、Yamawaki Hiroshi、Gotoh Yoshito、Kikegawa Takumi
    • Journal Title

      Inorg. Chem.

      Volume: 60 Pages: 3065-3073

    • DOI

      10.1021/acs.inorgchem.0c03345

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Experimental evidence for the existence of a second partially-ordered phase of ice VI2021

    • Author(s)
      Yamane Ryo、Komatsu Kazuki、Gouchi Jun、Uwatoko Yoshiya、Machida Shinichi、Hattori Takanori、Ito Hayate、Kagi Hiroyuki
    • Journal Title

      Nature Communications

      Volume: 12 Pages: 1129-1129

    • DOI

      10.1038/s41467-021-21351-9

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Unresolved problems of ice polymorphs: approach from high-pressure neutron diffraction studies2021

    • Author(s)
      小松一生
    • Journal Title

      Japanese Magazine of Mineralogical and Petrological Sciences

      Volume: 50 Issue: 1 Pages: 1-9

    • DOI

      10.2465/gkk.210108a

    • NAID

      130008002709

    • ISSN
      1345-630X, 1349-7979
    • Related Report
      2020 Annual Research Report
  • [Journal Article] High-pressure responses of alkali metal hydrogen carbonates, RbHCO3 and CsHCO3: Findings of new phases and unique compressional behavior2020

    • Author(s)
      Iizuka-Oku Riko、Gui Weibin、Komatsu Kazuki、Yagi Takehiko、Kagi Hiroyuki
    • Journal Title

      Journal of Solid State Chemistry

      Volume: 283 Pages: 121139-121139

    • DOI

      10.1016/j.jssc.2019.121139

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Crystal structure and magnetism of MnO under pressure2020

    • Author(s)
      Klotz S.、Komatsu K.、Polian A.、Machida S.、Sano-Furukawa A.、Itie J.-P.、Hattori T.
    • Journal Title

      Physical Review B

      Volume: 101 Pages: 064105-064105

    • DOI

      10.1103/physrevb.101.064105

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Anomalous hydrogen dynamics of the ice VII?VIII transition revealed by high-pressure neutron diffraction2020

    • Author(s)
      Komatsu Kazuki、Klotz Stefan、Machida Shinichi、Sano-Furukawa Asami、Hattori Takanori、Kagi Hiroyuki
    • Journal Title

      Proceedings of the National Academy of Sciences

      Volume: 117 Pages: 6356-6361

    • DOI

      10.1073/pnas.1920447117

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Developments of nano-polycrystalline diamond anvil cells for neutron diffraction experiments2020

    • Author(s)
      Komatsu Kazuki、Klotz Stefan、Nakano Satoshi、Machida Shinichi、Hattori Takanori、Sano-Furukawa Asami、Yamashita Keishiro、Irifune Tetsuo
    • Journal Title

      High Pressure Research

      Volume: 40 Pages: 184-193

    • DOI

      10.1080/08957959.2020.1727465

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate2020

    • Author(s)
      Komatsu Kazuki、Machida Shinichi、Noritake Fumiya、Hattori Takanori、Sano-Furukawa Asami、Yamane Ryo、Yamashita Keishiro、Kagi Hiroyuki
    • Journal Title

      Nature Communications

      Volume: 11 Pages: 464-464

    • DOI

      10.1038/s41467-020-14346-5

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] A nano-polycrystalline diamond anvil cell with bulk metallic glass cylinder for single-crystal neutron diffraction2020

    • Author(s)
      Yamashita Keishiro、Komatsu Kazuki、Klotz Stefan、Fernandez-Diaz Maria T.、Fabelo Oscar、Irifune Tetsuo、Sugiyama Kazumasa、Kawamata Tooru、Kagi Hiroyuki
    • Journal Title

      High Pressure Research

      Volume: 40 Pages: 88-95

    • DOI

      10.1080/08957959.2019.1700980

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] 高圧中性子回折実験が氷多形の研究にもたらしたもの2020

    • Author(s)
      小松一生
    • Journal Title

      日本結晶学会誌

      Volume: 62 Pages: 190-197

    • DOI

      10.5940/jcrsj.62.190

    • NAID

      130007896112

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-pressure structure and electronic properties of YbD2 to 34 GPa2019

    • Author(s)
      Klotz S.、Casula M.、Komatsu K.、Machida S.、Hattori T.
    • Journal Title

      Physical Review B

      Volume: 100 Pages: 020101-020101

    • DOI

      10.1103/physrevb.100.020101

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Search for a ferroelectrically ordered form of ice VII by neutron diffraction under high pressure and high electric field2019

    • Author(s)
      Yamane R., Komatsu K., Maynard-Casely H.E., Lee S., Booth N., and Kagi H.
    • Journal Title

      Physical Review B

      Volume: 99 Pages: 174201-174201

    • DOI

      10.1103/physrevb.99.174201

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by in-situ X-ray and neutron diffraction methods2019

    • Author(s)
      Yamashita Keishiro、Komatsu Kazuki、Hattori Takanori、Machida Shinichi、Kagi Hiroyuki
    • Journal Title

      Acta Crystallographica

      Volume: 75 Pages: 1605-1612

    • DOI

      10.1107/s2053229619014670

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Exploring for ferro-electically ordered form of ice VII by neutron diffraction under high pressure and high electric field2019

    • Author(s)
      R. Yamane, K. Komatsu, H.E. Maynard-Casely, S. Lee, N. Booth and H. Kagi
    • Journal Title

      Physical Review B

      Volume: 印刷中

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Pressure-induced stacking disorder in boehmite2018

    • Author(s)
      Ishii Y.、Komatsu K.、Nakano S.、Machida S.、Hattori T.、Sano-Furukawa A.、Kagi H.
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 20 Pages: 16650-16650

    • DOI

      10.1039/c8cp02565g

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Behavior of intermolecular interactions in α-glycine under high pressure2018

    • Author(s)
      Shinozaki, Ayako Komatsu, Kazuki Kagi, Hiroyuki Fujimoto, Chikako Machida, Shinichi Sano-Furukawa, Asami Hattori, Takanori
    • Journal Title

      Journal of Chemical Physics

      Volume: 148 Pages: 044507-044507

    • DOI

      10.1063/1.5009980

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Presentation] 中性子回折実験による氷VII-X相転移の観察に向けて2020

    • Author(s)
      小松一生,Stefan Klotz,中野智志,町田真一,服部高典,佐野亜沙美,山下恵史朗、入舩徹男
    • Organizer
      日本結晶学会2020年度年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Ice VII-VIII相転移速度の圧力依存性2019

    • Author(s)
      小松一生,Stefan Klotz,町田真一,佐野亜沙美,服部高典,鍵裕之
    • Organizer
      日本結晶学会令和元年度年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 積層不整のないice Icの合成2019

    • Author(s)
      小松一生,町田真一, 服部高典, 佐野亜沙美, 山根崚, 山下恵史朗, 鍵裕之
    • Organizer
      第60回高圧討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Preparation of ice Ic without stacking-disorder by emptying hydrogen hydrate2019

    • Author(s)
      Kazuki Komatsu, Shinichi Machida, Takanori Hattori, Asami Sano-Furukawa, Ryo Yamane, Keishiro Yamashita and Hiroyuki Kagi
    • Organizer
      EHPRG2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Novel approaches for the study on hydrogen hydrate and ice polymorphs using high-pressure neutron diffraction2019

    • Author(s)
      Kazuki Komatsu
    • Organizer
      AOCNS2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 高圧中性子回折実験による氷および 水素ハイドレート研究の新展開2018

    • Author(s)
      小松一生
    • Organizer
      日本結晶学会 2018年度年会および総会
    • Related Report
      2018 Annual Research Report
    • Invited

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Published: 2018-04-23   Modified: 2021-12-27  

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