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Alloy Design of High-Entropy Alloys Based on Screening Hypothesis and Statistical Decision Principle and Fabrications of New Alloys

Research Project

Project/Area Number 17H03375
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical properties of metals/Metal-base materials
Research InstitutionUniversity of Hyogo (2021)
Tohoku University (2017-2020)

Principal Investigator

Takeuchi Akira  兵庫県立大学, 産学連携・研究推進機構, 教授 (40250815)

Co-Investigator(Kenkyū-buntansha) 網谷 健児  東北大学, 金属材料研究所, 特任准教授 (30463798)
湯葢 邦夫  九州大学, 工学研究院, 学術研究員 (00302208)
和田 武  東北大学, 金属材料研究所, 准教授 (10431602)
Project Period (FY) 2017-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥17,550,000 (Direct Cost: ¥13,500,000、Indirect Cost: ¥4,050,000)
Fiscal Year 2021: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2020: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2019: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
Fiscal Year 2018: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2017: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Keywords高エントロピー合金 / 稠密六方構造 / 価電子濃度 / 合金設計 / 配置エントロピー / 混合エントロピー / 理想エントロピー / 高エントロピーバルク金属ガラス / オスミウム / 3d後期遷移金属 / 六方稠密構造 / 準正則溶体近似 / 相互作用パラメータ / 過剰エントロピー / 面心立方構造 / 体心立方構造 / 計算機科学 / 遷移金属 / 臨界パーコレーション / 分子動力学シミュレーション / 母相 / 鎖状連結原子 / パーコレーション / 準結晶 / 定比化合物 / 等原子分率
Outline of Final Research Achievements

An alloy design for high entropy alloys was established in the present study by combining thermodynamic calculations and valence election concentration control. Representative achievements were high entropy bulk metallic glass (HE-BMG) with critical diameter of 18 mm, and a single hcp and fcc HEA in Ir-Rh-Ru-W-Mo alloy system. Furthermore, precise thermodynamically calculations revealed that there exists a relationship of mixing entropy (Smix) being greater than configuration entropy (Sconfig) as Smix > Sconfig in some of existing HEAs. The present study revealed the truth of entropy, which is the basis of HEAs.

Academic Significance and Societal Importance of the Research Achievements

本研究では、従来、作製が困難であった稠密六方構造を有する高エントロピー合金(HEA)の作製に連続して成功した点で学術的意義をもつ。さらに、HEAの語源の由来となっているエントロピーについて、従来、紋切型に配置のエントロピー(Sconfig)で分類されていた常識に疑問を呈するとともに、熱力学的に精緻に混合エントロピーを計算して、HEAにおけるエントロピーの根源に迫る研究を展開した。現在、世界中で研究が隆盛をきわめている人工知能(AI)、マテリアルズインフォマティックス、機械学習などの基礎データに関する深遠な理解を与えるものであり、きわめて高い学術的意義を有する。

Report

(6 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (19 results)

All 2022 2021 2020 2019 2018 2017

All Journal Article (10 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 10 results,  Open Access: 7 results) Presentation (9 results) (of which Int'l Joint Research: 2 results,  Invited: 8 results)

  • [Journal Article] Ultra-High Mixing Entropy Alloys with Single bcc, hcp, or fcc Structure in Co–Cr–V–Fe–X (X = Al, Ru, or Ni) Systems Designed with Structure-Dependent Mixing Entropy and Mixing Enthalpy of Constituent Binary Equiatomic Alloys2022

    • Author(s)
      Akira Takeuchi, Takeshi Wada, Takeshi Nagase and Kenji Amiya
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 63 Issue: 6 Pages: 835-844

    • DOI

      10.2320/matertrans.MT-M2022004

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2022-06-01
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Os-Free Fe<sub>12</sub>Ir<sub>20</sub>Re<sub>20</sub>Rh<sub>20</sub>Ru<sub>28</sub> High-Entropy Alloy with Single hcp Structure Including Fe from Late Transition Metals2022

    • Author(s)
      Takeuchi Akira、Wada Takeshi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 63 Issue: 1 Pages: 7-15

    • DOI

      10.2320/matertrans.MT-M2021150

    • NAID

      130008134283

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2022-01-01
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Mixing Entropy of Exact Equiatomic High-Entropy Alloys Formed into a Single Phase2020

    • Author(s)
      Akira Takeuchi
    • Journal Title

      Materials Transactions

      Volume: 61 Pages: 1717-1726

    • NAID

      130007890402

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Solid Solutions with bcc, hcp, and fcc Structures Formed in a Composition Line in Multicomponent Ir–Rh–Ru–W–Mo System2019

    • Author(s)
      Takeuchi Akira、Wada Takeshi、Kato Hidemi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 60 Issue: 11 Pages: 2267-2276

    • DOI

      10.2320/matertrans.MT-M2019212

    • NAID

      130007733046

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2019-11-01
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] High-Entropy Alloys with Hexagonal Close-Packed Structure in Ir<sub>26</sub>Mo<sub>20</sub>Rh<sub>22.5</sub>Ru<sub>20</sub>W<sub>11.5</sub> and Ir<sub>25.5</sub>Mo<sub>20</sub>Rh<sub>20</sub>Ru<sub>25</sub>W<sub>9.5</sub> Alloys Designed by Sandwich Strategy for the Valence Electron Concentration of Constituent Elements in the Periodic Chart2019

    • Author(s)
      Takeuchi Akira、Wada Takeshi、Kato Hidemi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 60 Issue: 8 Pages: 1666-1673

    • DOI

      10.2320/matertrans.M2019037

    • NAID

      130007683578

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2019-08-01
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Critically Percolated States in High-Entropy Alloys with Exact Equi-Atomicity2019

    • Author(s)
      Takeuchi Akira、Yubuta Kunio、Wada Takeshi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 60 Issue: 2 Pages: 330-337

    • DOI

      10.2320/matertrans.M2018216

    • NAID

      130007556902

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2019-02-01
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Septenary Zr-Hf-Ti-Al-Co-Ni-Cu high-entropy bulk metallic glasses with centimeter-scale glass-forming ability2019

    • Author(s)
      Wada Takeshi、Jiang Jing、Yubuta Kunio、Kato Hidemi、Takeuchi Akira
    • Journal Title

      Materialia

      Volume: 7 Pages: 100372-100372

    • DOI

      10.1016/j.mtla.2019.100372

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Beating Thermal Coarsening in Nanoporous Materials via High‐Entropy Design2019

    • Author(s)
      Joo Soo‐Hyun、Bae Jae Wung、Park Won‐Young、Shimada Yusuke、Wada Takeshi、Kim Hyoung Seop、Takeuchi Akira、Konno Toyohiko J.、Kato Hidemi、Okulov Ilya V.
    • Journal Title

      Advanced Materials

      Volume: 32 Issue: 6 Pages: 1906160-1906160

    • DOI

      10.1002/adma.201906160

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Partially-devitrified icosahedral quasicrystalline phase in Ti 33.33 Zr 33.33 Hf 13.33 Ni 20 and Zr 30 Hf 30 Ni 15 Cu 10 Ti 15 amorphous alloys with near equi-atomic compositions2018

    • Author(s)
      Takeuchi A.、Amiya K.、Yubuta K.
    • Journal Title

      Materials Chemistry and Physics

      Volume: 210 Pages: 245-250

    • DOI

      10.1016/j.matchemphys.2017.10.057

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Solid state amorphization of metastable Al 0.5 TiZrPdCuNi high entropy alloy investigated by high voltage electron microscopy2018

    • Author(s)
      Nagase Takeshi、Takeuchi Akira、Amiya Kenji、Egami Takeshi
    • Journal Title

      Materials Chemistry and Physics

      Volume: 210 Pages: 291-300

    • DOI

      10.1016/j.matchemphys.2017.07.071

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 金属ガラスと高エントロピー合金の類似性を利用した合金開発と 混合エントロピー2021

    • Author(s)
      竹内 章
    • Organizer
      日本物理学会2021秋季大会液体・アモルファス・準結晶-複雑系が共創する物質科学(一般シンポジウム講演)
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 高エントロピー合金の熱力学データ群の構築と合金設計および合金開発2021

    • Author(s)
      竹内 章
    • Organizer
      第7回材料WEEK ≪ワークショップ3≫金属ガラス・ハイエントロピー合金のメタラジー
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 熱力学的アプローチによる 高エントロピー合金の予測と検証2020

    • Author(s)
      竹内 章
    • Organizer
      第24回関西大学先端科学技術シンポジウム
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] TCHEA3データベースの利用と合金組成最適化による新奇高エントロピー合金の予測と実証2019

    • Author(s)
      竹内 章
    • Organizer
      Thermo-Calcカンファレンス2019
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 平均価電子濃度による高エントロピー合金の構造制御2019

    • Author(s)
      竹内 章
    • Organizer
      金属学会シンポジウム ハイエントロピー合金の材料科学
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Critically- and Polychromatically-Percolated AlxCoCrFeNi and AlxCoCrCuFeNi High-Entropy Alloys Demonstrated by Molecular Dynamics Simulations2018

    • Author(s)
      A. Takeuchi, K. Yubuta, T. Wada, K. Amiya
    • Organizer
      International Conference on PROCESSING & MANUFACTURING OF ADVANCED MATERIALS Processing, Fabrication, Properties, Applications (THERMEC'2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 高エントロピー合金の材料設計2018

    • Author(s)
      竹内 章
    • Organizer
      日本金属学会2018年秋期大会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 4元および5元系完全等原子分率高エントロピー合金に対する分子動力学シミュレーションによる構成元素の臨界サイトパーコレーションの検証2017

    • Author(s)
      竹内 章、湯葢邦夫、和田 武、網谷健児
    • Organizer
      日本金属学会2017年秋期(第161回)講演大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Site Percolations in Exact Equi-Atomic High-Entropy Alloys Demonstrated by Molecular Dynamics Simulations2017

    • Author(s)
      A. Takeuchi1, K. Yubuta, T. Wada and K. Amiya
    • Organizer
      International Union of Material Research Societies‐International Conference in Asia, IUMRS‐ICA 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited

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Published: 2017-04-28   Modified: 2023-01-30  

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