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Physics and chemistry of ice based on pure ice Ic

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

Komatsu Kazuki  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 Completed (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 / 積層不整 / 高圧 / 中性子回折 / 分子動力学計算 / 密度汎関数法
Outline of Final Research Achievements

Cubic ice (ice Ic) is one of the most important ice polymorphs that is likely to exist universally in space. However, the ice Ic discovered so far always contains stacking disorder, leaving much unknown about its structure and physical properties. In this study, the world's first successful synthesis of ice Ic without stacking disorder was achieved by extracting hydrogen from hydrogen hydrate (C2), which has the same water molecule framework as ice Ic. We also succeeded for the first time in the world in measuring the neutron diffraction pattern of C2 under high pressure and analysing its crystal structure.

Academic Significance and Societal Importance of the Research Achievements

本研究で用いた方法によって氷Icの単一の結晶相が得られるため、これまで謎に包まれていた氷Icの基礎物性の理解が飛躍的に進むとともに、積層不整を含む氷と比較することで、積層不整が氷の物性にあたえる影響についての理解が進むことが期待される。積層不整した氷は、北極や南極の成層圏にある雲の中や宇宙空間、もしくは急速凍結した生体試料・冷凍食品などにも普遍的に存在しているため、本研究の成果は幅広い研究分野に重要な知見を与えるものとなる。さらに、水素ハイドレートから氷が得られたことで、その逆反応を利用して氷を水素貯蔵材料として用いる研究の展開も期待できる。

Report

(5 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • Research Products

    (35 results)

All 2022 2021 2020 2019 2018 Other

All Int'l Joint Research (4 results) Journal Article (24 results) (of which Int'l Joint Research: 13 results,  Peer Reviewed: 23 results,  Open Access: 6 results) Presentation (7 results) (of which Int'l Joint Research: 2 results,  Invited: 4 results)

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

    • Related Report
      2021 Annual Research Report
  • [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] Tuning the donor?acceptor interactions in phase-segregated block molecules2022

    • Author(s)
      Lamers Brigitte A. G.、van Son Martin H. C.、de Graaf Freek V.、van den Bersselaar Bart W. L.、de Waal Bas F. M.、Komatsu Kazuki、Sato Hiroshi、Aida Takuzo、Berrocal Jos? Augusto、Palmans Anja R. A.、Vantomme Ghislaine、Meskers Stefan C. J.、Meijer E. W.
    • Journal Title

      Materials Horizons

      Volume: 9 Issue: 1 Pages: 294-302

    • DOI

      10.1039/d1mh01141c

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Improvement of nano-polycrystalline diamond anvil cells with Zr-based bulk metallica glass cylinder for higher pressures: application to Laue-TOF diffractometer2022

    • Author(s)
      Yamashita, K., Komatsu, K., Ohhara, T., Munakata, K., Irifune, T., Shinmei, T., Sugiyama, K., Kawamata, T. and Kagi, H.
    • Journal Title

      High Pressure Research

      Volume: 42 Issue: 1 Pages: 121-135

    • DOI

      10.1080/08957959.2022.2045982

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pressure-induced phase transitions of cobalt sulfate hydrates and discovery of a new high-pressure phase, CoSO4・5H2O2022

    • Author(s)
      Zhao Zhenghao、Kagi Hiroyuki、Komatsu Kazuki、Yamashita Keishiro、Nakano Satoshi
    • Journal Title

      Journal of Solid State Chemistry

      Volume: 308 Pages: 122904-122904

    • DOI

      10.1016/j.jssc.2022.122904

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pressure-induced transition from Jeff = 1/2 to S = 1/2 states in CuAl2O42021

    • Author(s)
      Cho Hwanbeom、Kim Choong H.、Lee Yongmoon、Komatsu Kazuki、Cho Byeong-Gwan、Cho Deok-Yong、Kim Taehun、Kim Chaebin、Kim Younghak、Koo Tae Yeong、Noda Yukio、Kagi Hiroyuki、Khomskii Daniel I.、Seoung Donghoon、Park Je-Geun
    • Journal Title

      Physical Review B

      Volume: 103 Issue: 8

    • DOI

      10.1103/physrevb.103.l081101

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Compressibility and blue-shifting O?H stretching bands of magnesium hydroxyfluoride Mg(OH)F up to 20??GPa2021

    • Author(s)
      He Xuejing、Kagi Hiroyuki、Komatsu Kazuki、Nakano Satoshi
    • Journal Title

      Journal of Solid State Chemistry

      Volume: 303 Pages: 122449-122449

    • DOI

      10.1016/j.jssc.2021.122449

    • Related Report
      2021 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
      2021 Annual Research Report 2020 Annual Research Report
  • [Journal Article] An elastic metal-organic crystal with a densely catenated backbone2021

    • Author(s)
      Meng Wenjing、Kondo Shun、Ito Takuji、Komatsu Kazuki、Pirillo Jenny、Hijikata Yuh、Ikuhara Yuichi、Aida Takuzo、Sato Hiroshi
    • Journal Title

      Nature

      Volume: 598 Issue: 7880 Pages: 298-303

    • DOI

      10.1038/s41586-021-03880-x

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Origin of magnetovolume effect in a cobaltite2021

    • Author(s)
      P. Miao, Z. Tan, S. Lee, Y. Ishikawa, S. Torii, M. Yonemura, A. Koda, K. Komatsu, S. Machida, A. Sano-Furukawa, T. Hattori, X. Lin, K. Li, T. Mochiku, R. Kikuchi, C. Kawashima, H. Takahashi, Q. Huang, S. Itoh, R. Kadono, Y. Wang, F. Pan, K. Yamauchi and T. Kamiyama
    • Journal Title

      Phys. Rev. B

      Volume: 103 Issue: 9 Pages: 094302-094302

    • DOI

      10.1103/physrevb.103.094302

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Observation of dihydrogen bonds in high-pressure phases of ammonia borane by X-ray and neutron diffraction measurements2021

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

      Inorg. Chem.

      Volume: 60 Issue: 5 Pages: 3065-3073

    • DOI

      10.1021/acs.inorgchem.0c03345

    • Related Report
      2021 Annual Research 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 Issue: 1 Pages: 1129-1129

    • DOI

      10.1038/s41467-021-21351-9

    • Related Report
      2021 Annual Research Report 2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Direct evidence of the proton-dynamics crossover in ice VII from high-pressure dielectric measurements beyond 10 GPa2021

    • Author(s)
      Yamane Ryo、Komatsu Kazuki、Kagi Hiroyuki
    • Journal Title

      Physical Review B

      Volume: 104 Issue: 21 Pages: 214304-214304

    • DOI

      10.1103/physrevb.104.214304

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [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 Issue: 6 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 Issue: 12 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 Issue: 1 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 Issue: 1 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] 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 Issue: 3 Pages: 190-197

    • DOI

      10.5940/jcrsj.62.190

    • NAID

      130007896112

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A nano-polycrystalline diamond anvil cell with bulk metallic glass cylinder for single-crystal neutron diffraction2019

    • 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 Issue: 1 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] 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 Issue: 2 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 Issue: 17 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 Section C Structural Chemistry

      Volume: 75 Issue: 12 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

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 24 Pages: 16650-16656

    • 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

      The Journal of Chemical Physics

      Volume: 148 Issue: 4 Pages: 044507-044507

    • DOI

      10.1063/1.5009980

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Presentation] 氷多形の発見史から見る結晶学の発展と展望 ー 新しきを知りて故きを温ねる2021

    • Author(s)
      小松 一生
    • Organizer
      日本結晶学会創立70周年記念シンポジウム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [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: 2023-01-30  

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