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Diagramatic mapping of key factors for controlling the structure and formation of complex alloy crystals

Research Project

Project/Area Number 18K04677
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 26010:Metallic material properties-related
Research InstitutionTohoku University

Principal Investigator

Fujita Nobuhisa  東北大学, 多元物質科学研究所, 講師 (70431468)

Project Period (FY) 2018-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2021: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2020: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2019: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2018: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Keywords準結晶 / 近似結晶 / 複雑合金 / 合金状態図 / 構造安定性 / 構造解析 / 結晶構造解析 / 構造相転移 / 荷電子濃度則 / 相平衡 / 構造形成マップ / 価電子濃度則 / 軌道混成効果 / 原子半径比 / 荷電子濃度 / 二相共存 / 荷電子数 / 正二十面体準結晶 / 相図 / 第一原理計算 / 相形成マップ
Outline of Final Research Achievements

By synthesizing many alloy samples with different choices of elements and mixing ratios, the formation behaviors of complex alloy phases, namely, icosahedral quasicrystals and their approximants, in the Al-Pd-TM (=transition metal) and Cd-Mg-RE (=rare earth element) systems were studied in detail. A few novel complex alloy crystals including an unconventional 1/1 approximant in the Cd-Mg-Ce system were discovered. Moreover, the crystal structures were determined for some of the approximants using single-crystal X-ray diffraction technique. Meanwhile, a new mapping method was examined in order to reveal any universal trends in the formation behaviors irrespective of TM species. In this method, compositions of related phases were projected onto a planar map in which the mean number of valence electrons per atom and the vacant fraction of d-orbitals as calculated from the composition were used as the orthogonal coordinate axes.

Academic Significance and Societal Importance of the Research Achievements

準結晶や様々な近似結晶の相形成挙動に関する調査は、準結晶の発見から長きにわたり世界中で行われてきた。これらの新規複雑合金相の探索指針として固溶合金に対するヒュームロザリー則が適用されてきたが、元素置換による構造変化には電子の干渉効果に加えて軌道混成効果の影響も無視できず,その詳細なメカニズムの理解は道半ばである。本研究では元素の部分置換による相形成挙動の変化を系統的に調査するとともに、平均価電子濃度やd軌道空席率等を座標軸とするマッピング法を考案することで、準結晶や近似結晶の普遍的な形成挙動を部分的にあぶりだした。この試みをさらに進めれば、構造変化の支配因子を解明できると期待できる。

Report

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

    (16 results)

All 2021 2020 2019 Other

All Int'l Joint Research (1 results) Journal Article (4 results) (of which Peer Reviewed: 4 results,  Open Access: 2 results) Presentation (11 results) (of which Int'l Joint Research: 2 results,  Invited: 2 results)

  • [Int'l Joint Research] UGC-DAE Consortium for Scientific Res.(インド)

    • Related Report
      2020 Research-status Report
  • [Journal Article] A Unified Geometrical Framework for Face-Centered Icosahedral Approximants in Al–Pd–TM (TM = Transition Metal) Systems2021

    • Author(s)
      Fujita Nobuhisa、Ogashiwa Makoto
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 62 Issue: 3 Pages: 329-337

    • DOI

      10.2320/matertrans.MT-MB2020007

    • NAID

      130007990786

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2021-03-01
    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] 2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems2021

    • Author(s)
      Yamada Tsunetomo、Fujita Nobuhisa、Labib Farid
    • Journal Title

      Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

      Volume: 77 Issue: 4 Pages: 638-648

    • DOI

      10.1107/s2052520621006715

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] カノニカルセルタイリング ―正20面体ハイパーマテリアルへの幾何学的アプローチ―2021

    • Author(s)
      藤田 伸尚
    • Journal Title

      固体物理

      Volume: 56 Pages: 5-22

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Icosahedral quasicrystals and their cubic approximants in the Cd Mg RE (RE = Y, Sm, Gd, Tb, Dy, Ho, Er, Tm) systems2020

    • Author(s)
      Farid Labib, Nobuhisa Fujita, Satoshi Ohhashi, An-Pang Tsai
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 822 Pages: 153541-153541

    • DOI

      10.1016/j.jallcom.2019.153541

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Presentation] Al-Pd-TM(TM:遷移金属)系正二十面体準結晶および関連化合物の形成条件と電子構造2021

    • Author(s)
      藤田伸尚 , 阿部圭史 , 福島武
    • Organizer
      日本物理学会 第 76 回 年次大会
    • Related Report
      2020 Research-status Report
  • [Presentation] Al-Pd-TM(TM:遷移金属)系正二十面体準結晶および関連化合物の形成条件と電子構造2021

    • Author(s)
      藤田伸尚 , 阿部圭史 , 福島武
    • Organizer
      第25回準結晶研究会
    • Related Report
      2020 Research-status Report
  • [Presentation] アルミニウム-遷移金属合金における準結晶および 高次近似結晶の相安定性について2020

    • Author(s)
      藤田伸尚 , 阿部圭史 , 福島武
    • Organizer
      新学術領域ハイパーマテリアル 第5回領域会議
    • Related Report
      2020 Research-status Report
  • [Presentation] Al-Pd-(Ru, Fe)系近似結晶相の形成および構造2020

    • Author(s)
      阿部 圭史 , 藤田 伸尚 , 山根 久典
    • Organizer
      日本金属学会2020年秋期講演大会
    • Related Report
      2020 Research-status Report
  • [Presentation] Al-Pd-Ru系正二十面体準結晶および近似結晶の相形成に対するCr置換の影響2020

    • Author(s)
      福島 武 , 藤田 伸尚 , 大橋 諭
    • Organizer
      日本金属学会2020年秋期講演大会
    • Related Report
      2020 Research-status Report
  • [Presentation] Effects of Mg addition on magnetic behavior of Cd-Mg-RE (RE = Tb, Ce) 1/1 approximants2020

    • Author(s)
      Farid Labib , Takayuki Shiino , Daisuke Okuyama , Nobuhisa Fujita , Tsunetomo YamadaB , Daisuke Morikawa , Keiichiro ImuraA , Kazuhiko Deguchi , Kenji Tsuda , Taku Sato , Noriaki Sato , An-Pang Tsai
    • Organizer
      日本物理学会 2020年秋季大会
    • Related Report
      2020 Research-status Report
  • [Presentation] Magnetic properties of Icosahedral quasicrystals and their cubic approximants in Cd Mg RE (RE = Gd, Tb, Dy, Ho, Er, Tm) systems2020

    • Author(s)
      Farid Labib, Daisuke Okuyama, Nobuhisa Fujita, Tsunetomo Yamada, Satoshi Ohhashi, Taku J. Sato, An Pang Tsai
    • Organizer
      第24回準結晶研究会
    • Related Report
      2019 Research-status Report
  • [Presentation] Al Pd Ru 系正二十面体準結晶の相安定性に対する Cr 置換の影響2020

    • Author(s)
      福島武, 藤田伸尚, 大橋諭
    • Organizer
      第24回準結晶研究会
    • Related Report
      2019 Research-status Report
  • [Presentation] Canonical-cell geometry: a practical framework for describing the packing of icosahedral clusters2019

    • Author(s)
      Nobuhisa Fujita, Marek Mihalkovic
    • Organizer
      Interdisciplinary Symposium for Quasicrystals and Strongly Correlated Electron Systems (QSC2019)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Canonical-cell geometry: a renewed perspective2019

    • Author(s)
      Nobuhisa Fujita, Marek Mihalkovic
    • Organizer
      14th International Conference on Quasicrystals (ICQ14)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Al-Pd-(Fe, Ru)系近似結晶の同族置換による相形成要因の調査2019

    • Author(s)
      阿部 圭史, 大橋 諭, 藤田伸尚, 蔡 安邦
    • Organizer
      日本金属学会2019年春期講演大会
    • Related Report
      2018 Research-status Report

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Published: 2018-04-23   Modified: 2023-01-30  

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