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Materials design of high-entropy alloys accelerated by synergistic combination of computational thermodynamics and simulation of phase transformations

Planned Research

Project AreaHigh Entropy Alloys - Science of New Class of Materials Based on Elemental Multiplicity and Heterogeneity
Project/Area Number 18H05454
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionNagoya University

Principal Investigator

Koyama Toshiyuki  名古屋大学, 工学研究科, 教授 (80225599)

Co-Investigator(Kenkyū-buntansha) 大谷 博司  公益財団法人豊田理化学研究所, フェロー事業部門, フェロー (70176923)
陳 迎  東北大学, 工学研究科, 教授 (40372403)
及川 勝成  東北大学, 工学研究科, 教授 (70356608)
阿部 太一  国立研究開発法人物質・材料研究機構, 構造材料研究拠点, 主幹研究員 (50354155)
Project Period (FY) 2018-06-29 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥167,700,000 (Direct Cost: ¥129,000,000、Indirect Cost: ¥38,700,000)
Fiscal Year 2022: ¥29,770,000 (Direct Cost: ¥22,900,000、Indirect Cost: ¥6,870,000)
Fiscal Year 2021: ¥33,670,000 (Direct Cost: ¥25,900,000、Indirect Cost: ¥7,770,000)
Fiscal Year 2020: ¥33,670,000 (Direct Cost: ¥25,900,000、Indirect Cost: ¥7,770,000)
Fiscal Year 2019: ¥46,150,000 (Direct Cost: ¥35,500,000、Indirect Cost: ¥10,650,000)
Fiscal Year 2018: ¥24,440,000 (Direct Cost: ¥18,800,000、Indirect Cost: ¥5,640,000)
Keywords状態図 / 拡散 / 機械学習 / CALPHAD法 / フェーズフィールド法 / 第一原理計算 / 計算熱力学 / 拡散係数 / 逆問題 / 相変態 / データ同化 / CALPHAD法
Outline of Final Research Achievements

It was logically elucidated from the CALPHAD method that the disordered state of HEAs is macroscopically close to an ideal solution. From the cluster expansion method and Monte Carlo simulations, we proposed that phase equilibria involving atomistic ordered structures can exist microscopically within the solid solution. By applying machine learning to first-principles calculations, we developed a method of searching for alloy compositions that exhibit superior material properties. The ternary alloy systems within Cantor alloy were investigated, and we determined the experimental phase diagram mainly for the σ-phase region. A module to calculate the grain boundary segregation in multicomponent alloys was developed. It was clarified based on the multicomponent diffusion theory that the sluggish diffusion cannot be explained by the high-entropy effect. We proposed a methodology for estimating material parameters from microstructural information based on the inverse problem methods.

Academic Significance and Societal Importance of the Research Achievements

学術的意義は、HEA不規則固溶体の熱力学的安定性と拡散現象の理解が大きく深化した点である。典型的なHEAであるCantor合金の実験状態図と拡散情報が精査された点も大きい。社会的意義としては以下を開発した(本研究は、社会還元として個別材料の開発ではなく、広くHEA開発に活用できる手法開発に重点を置いている)。機械学習、第一原理電子状態図計算、およびモンテカルロ法の連携から、HEA固溶体の安定性や平均原子変位を解析する手法を開発した。多成分系粒界偏析の系統的な計算システムを作成・公開した。フェーズフィールド法と拡散実験データの連携から、各種材料パラメータを逆問題式に推定する手法を構築した。

Report

(6 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • Research Products

    (225 results)

All 2023 2022 2021 2020 2019 2018 Other

All Journal Article (93 results) (of which Int'l Joint Research: 27 results,  Peer Reviewed: 85 results,  Open Access: 36 results) Presentation (125 results) (of which Int'l Joint Research: 35 results,  Invited: 39 results) Book (5 results) Remarks (2 results)

  • [Journal Article] Stabilization of Equiatomic Solutions Due to High-Entropy Effect2023

    • Author(s)
      Abe Taichi、Han Kwangsik、Goto Yumi、Ohnuma Ikuo、Koyama Toshiyuki
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 64 Issue: 4 Pages: 877-884

    • DOI

      10.2320/matertrans.MT-M2022167

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2023-04-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Current Status and Future Scope of Phase Diagram Studies2023

    • Author(s)
      M. Enoki, S. Minamoto, I. Ohnuma, T. Abe, H. Ohtani
    • Journal Title

      ISIJ International

      Volume: 63 Issue: 3 Pages: 407-418

    • DOI

      10.2355/isijinternational.ISIJINT-2022-408

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2023-03-15
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] DFT calculations of structural, magnetic, and stability of FeNiCo-based and FeNiCr-based quaternary alloys2023

    • Author(s)
      Tran Nguyen-Dung、Davey Theresa、Chen Ying
    • Journal Title

      Journal of Applied Physics

      Volume: 133 Issue: 4 Pages: 045101-045101

    • DOI

      10.1063/5.0134915

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Sublattice alloy design of high-strength steels: Application of clustering and nanoscale precipitation of interstitial and substitutional solutes2023

    • Author(s)
      Tadashi Furuhara, Yongjie Zhang, Mitsutaka Sato, Goro Miyamoto, Masanori Enoki, Hiroshi Ohtani, Tokuteru Uesugi, Hiroshi Numakura
    • Journal Title

      Scripta Materialia

      Volume: 223 Pages: 115063-115063

    • DOI

      10.1016/j.scriptamat.2022.115063

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Effect of Alloying Elements on Grain Boundary Segregation of Boron and Carbon in α-Iron2023

    • Author(s)
      Tokunaga Tatsuya、Motomura Yuta、Era Hidenori、Tsuchiyama Toshihiro、Shobu Kazuhisa、Hasebe Mitsuhiro、Ohtani Hiroshi
    • Journal Title

      Tetsu-to-Hagane

      Volume: 109 Issue: 3 Pages: 158-166

    • DOI

      10.2355/tetsutohagane.TETSU-2022-081

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Prediction of grain boundary chemistry in multicomponent alloys2022

    • Author(s)
      Masataka Funamoto, Yusuke Matsuoka, Yuhki Tsukada, Toshiyuki Koyama
    • Journal Title

      Science and Technology of Advanced Materials: Methods

      Volume: 2 Issue: 1 Pages: 322-333

    • DOI

      10.1080/27660400.2022.2112915

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Element-wise representations with ECNet for material property prediction and applications in high-entropy alloys2022

    • Author(s)
      Wang Xinming、Tran Nguyen-Dung、Zeng Shuming、Hou Cong、Chen Ying、Ni Jun
    • Journal Title

      npj Computational Materials

      Volume: 8 Issue: 1

    • DOI

      10.1038/s41524-022-00945-x

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Thermodynamic and atomic mobility assessment of the Co-Fe-Mn system2022

    • Author(s)
      Pendem Sri Pragna、Ueshima Nobufumi、Oikawa Katsunari、Tsukada Yuhki、Koyama Toshiyuki
    • Journal Title

      Journal of Materials Science

      Volume: 57 Issue: 33 Pages: 15999-16015

    • DOI

      10.1007/s10853-022-07612-y

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Experimental Investigation and Thermodynamic Assessment of Ni-B and Ni-B-C Systems2022

    • Author(s)
      Oikawa Katsunari、Ueshima Nobufumi
    • Journal Title

      Journal of Phase Equilibria and Diffusion

      Volume: 43 Issue: 6 Pages: 814-826

    • DOI

      10.1007/s11669-022-00995-0

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Experimental determination of phase diagram involving silicides in the Fe-Si binary system2022

    • Author(s)
      Han K.、Saito M.、Xia J.、Ohnuma I.、Kainuma R.
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 919 Pages: 165810-165810

    • DOI

      10.1016/j.jallcom.2022.165810

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Penta-graphene and phagraphene: thermal expansion, linear compressibility, and Poisson’s ratio2022

    • Author(s)
      Lei Wang, Ying Chen, Hideo Miura, Ken Suzuki and Cong Wang
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 34 Issue: 50 Pages: 505301-505301

    • DOI

      10.1088/1361-648x/ac9c3e

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Anharmonic Interaction in Negative Thermal Expansion Material CaTiF62022

    • Author(s)
      Wang Lei、Chen Ying、Ni Jun、Ye Feng、Wang Cong
    • Journal Title

      Inorganic Chemistry

      Volume: 61 Issue: 43 Pages: 17378-17386

    • DOI

      10.1021/acs.inorgchem.2c03263

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Tunable uniaxial, area, and volume negative thermal expansion in quartz-like and diamond-like metalorganic frameworks2022

    • Author(s)
      Lei Wang, Ying Chen, Hideo Miura, Ken Suzuki and Cong Wang
    • Journal Title

      Royal Society of Chemistry (RSC) Advances

      Volume: 12 Issue: 34 Pages: 21770-21779

    • DOI

      10.1039/d2ra03292a

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Vacancy ordering in sub-stoichiometric zirconium carbide: A review2022

    • Author(s)
      Theresa Davey, Ying Chen
    • Journal Title

      Int. J. Ceramic Eng. & Sci.

      Volume: 2022 Issue: 3 Pages: 1-1

    • DOI

      10.1002/ces2.10126

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] The effect of impurities on stacking fault energy and dislocation properties in γ-TiAl2022

    • Author(s)
      Wang Jinkai、Li Qiyang、Lu Zhanpeng、Wang Hao、Lu Xiao-Gang、Chen Ying
    • Journal Title

      Vacuum

      Volume: 197 Pages: 110866-110866

    • DOI

      10.1016/j.vacuum.2021.110866

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Investigations on the Phase Transformations, Equilibria and Athermal ω in Ni-Ga-Cr Ternary System2022

    • Author(s)
      Ruan Jingjing、Chen Yuyuan、Kobayashi Kosei、Ueshima Nobufumi、Oikawa Katsunari
    • Journal Title

      Materials

      Volume: 15 Issue: 21 Pages: 7617-7617

    • DOI

      10.3390/ma15217617

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Simulation-aided analysis on mechanical properties of dilute Mg-Zn-Ca alloy sheets2022

    • Author(s)
      Matsuoka Yusuke、Bian Mingzhe、Huang Xinsheng、Tsukada Yuhki、Koyama Toshiyuki、Chino Yasumasa
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 906 Pages: 164285-164285

    • DOI

      10.1016/j.jallcom.2022.164285

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of bending and tension deformation on the texture evolution and stretch formability of Mg-Zn-RE-Zr alloy2022

    • Author(s)
      Ishiguro Yuya、Huang Xinsheng、Tsukada Yuhki、Koyama Toshiyuki、Chino Yasumasa
    • Journal Title

      International Journal of Minerals, Metallurgy and Materials

      Volume: 29 Issue: 7 Pages: 1334-1342

    • DOI

      10.1007/s12613-021-2398-8

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Improving the mechanical and corrosion properties of pure magnesium by parts-per-million-level alloying2022

    • Author(s)
      Bian Mingzhe、Nakatsugawa Isao、Matsuoka Yusuke、Huang Xinsheng、Tsukada Yuhki、Koyama Toshiyuki、Chino Yasumasa
    • Journal Title

      Acta Materialia

      Volume: 241 Pages: 118393-118393

    • DOI

      10.1016/j.actamat.2022.118393

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Machine-Learning-Based phase diagram construction for high-throughput batch experiments2022

    • Author(s)
      Tamura Ryo、Deffrennes Guillaume、Han Kwangsik、Abe Taichi、Morito Haruhiko、Nakamura Yasuyuki、Naito Masanobu、Katsube Ryoji、Nose Yoshitaro、Terayama Kei
    • Journal Title

      Science and Technology of Advanced Materials: Methods

      Volume: 2 Issue: 1 Pages: 153-161

    • DOI

      10.1080/27660400.2022.2076548

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Simple Approach for Evaluating the Possibility of Sluggish Diffusion in High-Entropy Alloys2022

    • Author(s)
      Koyama Toshiyuki、Tsukada Yuhki、Abe Taichi
    • Journal Title

      Journal of Phase Equilibria and Diffusion

      Volume: 43 Issue: 1 Pages: 68-77

    • DOI

      10.1007/s11669-022-00938-9

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cubic halide perovskites as potential low thermal conductivity materials: A combined approach of machine learning and first-principles calculations2022

    • Author(s)
      Xinming Wang,Yinchang Zhao Shuming, Zeng, Zhuchi Wang, Ying Chen, Jun Ni
    • Journal Title

      Phy. Rev. B

      Volume: 105 Issue: 1 Pages: 014310-014310

    • DOI

      10.1103/physrevb.105.014310

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] The effect of oxygen impurities on the stability and structural properties of vacancy-ordered and -disordered ZrCx2022

    • Author(s)
      Theresa Davey, Ying Chen
    • Journal Title

      RSC Adv.

      Volume: 12 Issue: 6 Pages: 3198-3198

    • DOI

      10.1039/d1ra07768f

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Acceleration of phase diagram construction by machine learning incorporating Gibbs' phase rule2022

    • Author(s)
      Terayama Kei、Han Kwangsik、Katsube Ryoji、Ohnuma Ikuo、Abe Taichi、Nose Yoshitaro、Tamura Ryo
    • Journal Title

      Scripta Materialia

      Volume: 208 Pages: 114335-114335

    • DOI

      10.1016/j.scriptamat.2021.114335

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] ハイエントロピー合金における拡散2022

    • Author(s)
      小山敏幸
    • Journal Title

      金属

      Volume: 92 Pages: 21-26

    • Related Report
      2021 Annual Research Report
  • [Journal Article] Effect of Short-Range Ordering in High-Entropy Alloys2021

    • Author(s)
      Abe Taichi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 62 Issue: 6 Pages: 711-718

    • DOI

      10.2320/matertrans.MT-M2021022

    • NAID

      130008042847

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2021-06-01
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Understanding the Anomalous Discontinuous Precipitation in Cu-Ni-X (X = Co,Fe) Alloys Based on CALPHAD Method and Phase-Field Simulation2021

    • Author(s)
      Goto Jundai、Koyama Toshiyuki、Tsukada Yuhki
    • Journal Title

      Journal of the Japan Institute of Metals and Materials

      Volume: 85 Issue: 3 Pages: 89-94

    • DOI

      10.2320/jinstmet.J2020037

    • NAID

      130007990769

    • ISSN
      0021-4876, 1880-6880, 2433-7501
    • Year and Date
      2021-03-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermodynamic analysis of KCl-KF-AlCl<sub>3</sub>-AlF<sub>3</sub> system2021

    • Author(s)
      Oikawa Katsunari、Ueshima Nobuhumi
    • Journal Title

      Journal of Japan Institute of Light Metals

      Volume: 71 Issue: 1 Pages: 32-38

    • DOI

      10.2464/jilm.71.32

    • NAID

      130007986247

    • ISSN
      0451-5994, 1880-8018
    • Year and Date
      2021-01-15
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Stability and Thermodynamics Properties of CrFeNiCoMn/Pd High Entropy Alloys from First Principles2021

    • Author(s)
      Nguyen-Dung Tran, Arkapol Saengdeejing, Ken Suzuki, Hideo Miura, Ying Chen
    • Journal Title

      J. Phase Equilib. Diffus.

      Volume: 42 Issue: 5 Pages: 606-606

    • DOI

      10.1007/s11669-021-00900-1

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Improving Thermodynamic Stability of SmFe12-Type Permanent Magnets from High Entropy Effect2021

    • Author(s)
      Arkapol Saengdeejing, Ying Chen
    • Journal Title

      J. Phase Equilib. Diffus.

      Volume: 42 Issue: 5 Pages: 529-529

    • DOI

      10.1007/s11669-021-00894-w

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Stability and structural properties of vacancy-ordered and -disordered ZrC<sub><i>x</i></sub>2021

    • Author(s)
      Davey Theresa、Suzuki Ken、Miura Hideo、Chen Ying
    • Journal Title

      RSC Advances

      Volume: 11 Issue: 52 Pages: 32573-32589

    • DOI

      10.1039/d1ra06362f

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Development of a prototype thermodynamic database for Nd-Fe-B permanent magnets2021

    • Author(s)
      Taichi Abe, Masao Morishita, Ying Chen, Arkapol Saengdeejing, Kiyoshi Hashimoto, Yoshinao Kobayashi, Ikuo Ohnuma, Toshiyuki Koyama, Satoshi Hirosawa
    • Journal Title

      Science and Technology of Advanced Materials

      Volume: 22 Issue: 1 Pages: 557-557

    • DOI

      10.1080/14686996.2021.1936627

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] The bonding variation of c-TiAl during deformation2021

    • Author(s)
      Jinkai Wang, Xin Cui Jianxin Huang, Hao Wang, Zhanpeng Lu, Ying Chen
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 23 Issue: 6 Pages: 3905-3905

    • DOI

      10.1039/d0cp06395a

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Electron Theory Calculation of Thermodynamic Properties of Steels and Its Application to Theoretical Phase Diagram of the Fe-Mo-B Ternary System2021

    • Author(s)
      Enoki Masanori、Takahashi Kota、Mitomi Soei、Ohtani Hiroshi
    • Journal Title

      Tetsu-to-Hagane

      Volume: 107 Issue: 11 Pages: 923-933

    • DOI

      10.2355/tetsutohagane.TETSU-2021-078

    • NAID

      130008109033

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Sm-Ti binary thermodynamic database and phase diagram2021

    • Author(s)
      Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani, Abe Taichi
    • Journal Title

      Calphad

      Volume: 75 Pages: 102357-102357

    • DOI

      10.1016/j.calphad.2021.102357

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Investigation on the σ-phase-related equilibria in Cr-Mn-Co system2021

    • Author(s)
      Li Haoge、Ruan Jingjing、Ueshima Nobufumi、Oikawa Katsunari
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 867 Pages: 159024-159024

    • DOI

      10.1016/j.jallcom.2021.159024

    • Related Report
      2021 Annual Research Report 2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Phase equilibria, martensitic transformations and deformation behaviors of the subsystem of Cantor alloy?low-cost Fe-Mn-Cr alloys2021

    • Author(s)
      Ruan Jingjing、Ueshima Nobufumi、Li Haoge、Oikawa Katsunari
    • Journal Title

      Materialia

      Volume: 20 Pages: 101231-101231

    • DOI

      10.1016/j.mtla.2021.101231

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of initial microstructure on grain refinement under hot compression in CrMnFeCoNi high-entropy alloy with Al addition2021

    • Author(s)
      Watanabe Hiroyuki、Murata Toru、Ikeo Naoko、Mukai Toshiji、Han Kwangsik、Tsuchiya Koichi
    • Journal Title

      Materialia

      Volume: 18 Pages: 101172-101172

    • DOI

      10.1016/j.mtla.2021.101172

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Formation and growth behavior of intermetallic compound phases in the interfacial reaction of solid Fe / liquid Zn at 450?°C2021

    • Author(s)
      Han Kwangsik、Lee Inho、Ohnuma Ikuo、Kainuma Ryosuke
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 888 Pages: 161562-161562

    • DOI

      10.1016/j.jallcom.2021.161562

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Recrystallization Behavior of IF Steel at the Interface of Al Junction2021

    • Author(s)
      Okuda Kaneharu、Han Kwangsik、Kainuma Ryosuke
    • Journal Title

      Tetsu-to-Hagane

      Volume: 107 Issue: 5 Pages: 345-355

    • DOI

      10.2355/tetsutohagane.TETSU-2020-116

    • NAID

      130008031467

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] BCC-HCP-FCC Multiple Transformations and ε Loop in the Fe-Cr-Co-Mn System2021

    • Author(s)
      Omori Toshihiro、Ando Keisuke、Ohnuma Ikuo、Kainuma Ryosuke、Ishida Kiyohito
    • Journal Title

      Journal of Phase Equilibria and Diffusion

      Volume: 42 Issue: 5 Pages: 735-747

    • DOI

      10.1007/s11669-021-00901-0

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Experimental determination of phase diagram at 450?°C in the Zn?Fe?Al ternary system2021

    • Author(s)
      Lee I.、Han K.、Ohnuma I.、Kainuma R.
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 854 Pages: 157163-157163

    • DOI

      10.1016/j.jallcom.2020.157163

    • Related Report
      2021 Annual Research Report 2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Adjoint model for estimating material parameters based on microstructure evolution during spinodal decomposition2021

    • Author(s)
      Matsuura Yuki、Tsukada Yuhki、Koyama Toshiyuki
    • Journal Title

      Physical Review Materials

      Volume: 5 Issue: 11 Pages: 113801-113801

    • DOI

      10.1103/physrevmaterials.5.113801

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Ludwig-Soret effect formulated from the grain-boundary-phase model2021

    • Author(s)
      Koyama Toshiyuki、Tsukada Yuhki
    • Journal Title

      Calphad

      Volume: 73 Pages: 102269-102269

    • DOI

      10.1016/j.calphad.2021.102269

    • NAID

      120007175377

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electron Theory Calculation of Thermodynamic Properties of Steels and Its Application to Theoretical Phase Diagram of the Fe–Mo–B Ternary System2020

    • Author(s)
      Enoki Masanori、Takahashi Kota、Mitomi Soei、Ohtani Hiroshi
    • Journal Title

      ISIJ International

      Volume: 60 Issue: 12 Pages: 2963-2972

    • DOI

      10.2355/isijinternational.ISIJINT-2020-189

    • NAID

      130007956944

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2020-12-15
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Texture Formation in a Polycrystalline Fe–Ni–Co–Al–Ti–B Shape Memory Alloy2020

    • Author(s)
      Lee Doyup、Omori Toshihiro、Han Kwangsik、Hayakawa Yasuyuki、Kainuma Ryosuke
    • Journal Title

      ISIJ International

      Volume: 60 Issue: 12 Pages: 2973-2982

    • DOI

      10.2355/isijinternational.ISIJINT-2020-199

    • NAID

      130007956930

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2020-12-15
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Work Softening Phenomena in Al-Fe Alloys: the Impurity-Scavenging Effect of the <i>θ</i>-Al<sub>13</sub>Fe<sub>4</sub> Phase2020

    • Author(s)
      Hara Toshihiro、Egusa Daisuke、Mihara Mami、Tanaka Hiroki、Ohnuma Ikuo、Abe Eiji
    • Journal Title

      Journal of the Japan Institute of Metals and Materials

      Volume: 84 Issue: 12 Pages: 406-412

    • DOI

      10.2320/jinstmet.J2020031

    • NAID

      130007942368

    • ISSN
      0021-4876, 1880-6880, 2433-7501
    • Year and Date
      2020-12-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Development of Microstructure Simulation System in SIP-Materials Integration Projects2020

    • Author(s)
      Koyama Toshiyuki、Ohno Munekazu、Yamanaka Akinori、Kasuya Tadashi、Tsukamoto Susumu
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 11 Pages: 2047-2051

    • DOI

      10.2320/matertrans.MT-MA2020001

    • NAID

      130007930228

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-11-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermodynamic Analysis of the Al-Mg-Zn Ternary System2020

    • Author(s)
      Hayashi Naohiro、Nakashima Kazuki、Enoki Masanori、Ohtani Hiroshi
    • Journal Title

      Journal of the Japan Institute of Metals and Materials

      Volume: 84 Issue: 5 Pages: 141-150

    • DOI

      10.2320/jinstmet.JBW201905

    • NAID

      130007835673

    • ISSN
      0021-4876, 1880-6880, 2433-7501
    • Year and Date
      2020-05-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Formation and Stability of Solute Enriched Stacking Fault in the Mg–Zn–Y, Mg–Co–Y and Mg–Zn–Ca Ternary Systems2020

    • Author(s)
      M. Egami, I. Ohnuma, M. Enoki, H. Ohtani,E. Abe
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 5 Pages: 839-848

    • DOI

      10.2320/matertrans.MT-MM2019009

    • NAID

      130007835706

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-05-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Thermal Vacancies in High-Entropy Alloys2020

    • Author(s)
      Abe Taichi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 4 Pages: 610-615

    • DOI

      10.2320/matertrans.MT-MK2019008

    • NAID

      130007815362

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-04-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cost-effective search for lower-error region in material parameter space using multifidelity Gaussian process modeling2020

    • Author(s)
      Takeno Shion、Tsukada Yuhki、Fukuoka Hitoshi、Koyama Toshiyuki、Shiga Motoki、Karasuyama Masayuki
    • Journal Title

      Physical Review Materials

      Volume: 4 Issue: 8 Pages: 083802-083802

    • DOI

      10.1103/physrevmaterials.4.083802

    • NAID

      120006941041

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Phase-field study of the spinodal decomposition rate of β phase in oxygen-added Ti-Nb alloys2020

    • Author(s)
      Ishiguro Yuya、Tsukada Yuhki、Koyama Toshiyuki
    • Journal Title

      Computational Materials Science

      Volume: 174 Pages: 109471-109471

    • DOI

      10.1016/j.commatsci.2019.109471

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Calphad Modeling of LRO and SRO Using ab initio Data2020

    • Author(s)
      Enoki Masanori、Sundman Bo、Sluiter Marcel H. F.、Selleby Malin、Ohtani Hiroshi
    • Journal Title

      Metals

      Volume: 10 Issue: 8 Pages: 998-998

    • DOI

      10.3390/met10080998

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Thermodynamic assessment of the Ga-Se-Te system2020

    • Author(s)
      Liu Yuheng、Dou Zhichao、Enoki Masanori、Oyama Yutaka、Ohtani Hiroshi
    • Journal Title

      Calphad

      Volume: 71 Pages: 102206-102206

    • DOI

      10.1016/j.calphad.2020.102206

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles-only CALPHAD phase diagram of the solid aluminium-nickel (Al-Ni) system2020

    • Author(s)
      Theresa Davey, Nguyen-Dung Tran, Arkapol Saengdeejing, and Ying Chen
    • Journal Title

      CLAPHAD

      Volume: 71 Pages: 102008-102008

    • DOI

      10.1016/j.calphad.2020.102008

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] First-principles analysis of the inhibitive effect of interstitial carbon on an active dissolution of martensitic steel2020

    • Author(s)
      Mariko Kadowaki, Arkapol Saengdeejin, Izumi Muto, YingChen, Hiroyuki Masuda, Hideki Katayama, Takashi Doi, Kaori Kawano, Hideo Miura, Yu Sugawara, Nobuyoshi Hara
    • Journal Title

      Corrosion Science

      Volume: 163 Pages: 108251-108251

    • DOI

      10.1016/j.corsci.2019.108251

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Roles of Interstitial Nitrogen, Carbon, and Boron in Steel Corrosion: Generation of Oxyanions and Stabilization of Electronic Structure2020

    • Author(s)
      Mariko Kadowaki, Arkapol Saengdeejing, Izumi Muto, Ying Chen, Gerald S. Frankel, Takashi Doi, Kaori Kawano, Yu Sugawara, Nobuyoshi Hara
    • Journal Title

      Journal of The Electrochemical Society

      Volume: 167 Issue: 8 Pages: 081503-081503

    • DOI

      10.1149/1945-7111/ab8926

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Influences of Multicenter Bonding and Interstitial Elements on Twinned γ-TiAl Crystal2020

    • Author(s)
      Zehang Fu, Jinkai Wang, Hao Wang, Xiaogang Lu, Yanlin He and Ying Chen
    • Journal Title

      Materials

      Volume: 13 Issue: 9 Pages: 2016-2016

    • DOI

      10.3390/ma13092016

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Experimental investigations of fcc/bcc phase equilibria in the Cr-Mn-Ni ternary system2020

    • Author(s)
      Li Haoge、Ruan Jingjing、Ueshima Nobufumi、Oikawa Katsunari
    • Journal Title

      Intermetallics

      Volume: 127 Pages: 106994-106994

    • DOI

      10.1016/j.intermet.2020.106994

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Calculation of Grain Boundary Segregation in Cu–Based Alloys by CALPHAD Method2020

    • Author(s)
      大沼 郁雄
    • Journal Title

      Journal of Japan Institute of Copper

      Volume: 59 Issue: 1 Pages: 32-37

    • DOI

      10.34562/jic.59.1_32

    • NAID

      130007940904

    • ISSN
      1347-7234, 2435-872X
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Phase Equilibria at 1373 K in the Ni-Rich Portion of Ni-Ti-Sb Ternary System2020

    • Author(s)
      R. Kainuma, R. Umino, X. Xu, K. Han, T. Omori
    • Journal Title

      Journal of Phase Equilibria and Diffusion

      Volume: 41 Issue: 2 Pages: 116-122

    • DOI

      10.1007/s11669-020-00784-7

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fe基合金状態図の決定と熱力学解析2020

    • Author(s)
      大沼郁雄
    • Journal Title

      ふぇらむ

      Volume: 25 Pages: 436-442

    • Related Report
      2020 Annual Research Report
  • [Journal Article] Role of substituted atoms in stacking fault formation in long-period stacking ordered system2020

    • Author(s)
      Kawano S.、Iikubo S.、Ohtani H.
    • Journal Title

      Computational Materials Science

      Volume: 171 Pages: 109210-109210

    • DOI

      10.1016/j.commatsci.2019.109210

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermodynamic origin of solute-enriched stacking-fault in dilute Mg-Zn-Y alloys2020

    • Author(s)
      Egami M.、Ohnuma I.、Enoki M.、Ohtani H.、Abe E.
    • Journal Title

      Materials & Design

      Volume: 188 Pages: 108452-108452

    • DOI

      10.1016/j.matdes.2019.108452

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Growth behavior of the δ-Ni3Nb phase in superalloy 718 and modified KJMA modeling for the transformation-time-temperature diagram2020

    • Author(s)
      Ruan J.J.、Ueshima N.、Oikawa K.
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 814 Pages: 152289-152289

    • DOI

      10.1016/j.jallcom.2019.152289

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermodynamic Analysis of the Al-Cu-Mg Ternary System2019

    • Author(s)
      Hayashi Naohiro、Nakashima Kazuki、Enoki Masanori、Ohtani Hiroshi
    • Journal Title

      Journal of the Japan Institute of Metals and Materials

      Volume: 83 Issue: 10 Pages: 378-387

    • DOI

      10.2320/jinstmet.JAW201903

    • NAID

      130007711169

    • ISSN
      0021-4876, 1880-6880, 2433-7501
    • Year and Date
      2019-10-01
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Estimation of material parameters based on precipitate shape: efficient identification of low-error region with Gaussian process modeling2019

    • Author(s)
      Tsukada Yuhki、Takeno Shion、Karasuyama Masayuki、Fukuoka Hitoshi、Shiga Motoki、Koyama Toshiyuki
    • Journal Title

      Scientific Reports

      Volume: 9 Issue: 1 Pages: 15794-15794

    • DOI

      10.1038/s41598-019-52138-0

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Solidification analysis by non-equilibrium phase field model using thermodynamics data estimated by machine learning2019

    • Author(s)
      Nomoto Sukeharu、Wakameda Hiroshi、Segawa Masahito、Yamanaka Akinori、Koyama Toshiyuki
    • Journal Title

      Modelling and Simulation in Materials Science and Engineering

      Volume: 27 Issue: 8 Pages: 084008-084008

    • DOI

      10.1088/1361-651x/ab3379

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Hydrogen on the Substructure of Lenticular Martensite in Fe-31Ni Alloy2019

    • Author(s)
      Shibata, M. Enoki, N. Saji, H. Tai, M. Koyama, H. Ohtani, N. Tsuji, K. Tsuzaki,
    • Journal Title

      Metallurgical and Materials Transactions A

      Volume: 50 Issue: 9 Pages: 4027-4036

    • DOI

      10.1007/s11661-019-05320-y

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 銅合金における加工組織シミュレーションモデルを用いた変形双晶組織と強度の解析2019

    • Author(s)
      藤原英道、金子 洋、大谷博司、榎木勝徳、宇都宮 裕
    • Journal Title

      銅と銅合金

      Volume: 58 Pages: 45-51

    • NAID

      40021983130

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Black phosphorene exhibiting negative thermal expansion and negative linear compressibility2019

    • Author(s)
      Lei Wang, Cong Wang and Ying Chen
    • Journal Title

      J. Phys.: Condens. Matter.

      Volume: 31 Issue: 46 Pages: 465003-465003

    • DOI

      10.1088/1361-648x/ab3673

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Failure mode in first-principles computational tensile tests of grain boundaries: effects of a bulk-region size, dominant factors, and local-energy and local-stress analysis2019

    • Author(s)
      Hao Wang, Masanori Kohyama, Shingo Tanaka, JinKai Wang and Ying Chen
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: 31 Issue: 9 Pages: 095001-095001

    • DOI

      10.1088/1361-648x/aaf7f2

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Influence of Y-Rich Compounds on High-Cycle Fatigue Performance of Y-Doped M951 Superalloy2019

    • Author(s)
      P.J. Zhou, D.H. Song, N. Kiu, N. Ueshima and K. Oikawa
    • Journal Title

      Journal of Materials Engineering and Performance

      Volume: 28 Issue: 10 Pages: 6053-6062

    • DOI

      10.1007/s11665-019-04383-7

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Experimental determination and thermodynamic evaluation of low-temperature phase equilibria in the Fe-Ni binary system2019

    • Author(s)
      Ohnuma Ikuo、Shimenouchi Shota、Omori Toshihiro、Ishida Kiyohito、Kainuma Ryosuke
    • Journal Title

      Calphad

      Volume: 67 Pages: 101677-101677

    • DOI

      10.1016/j.calphad.2019.101677

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Magnetic Transitions on the Formation of the Thermal Vacancy in αFe2019

    • Author(s)
      Abe Taichi、Shimono Masato、Nakamura Takeshi
    • Journal Title

      Tetsu-to-Hagane

      Volume: 105 Issue: 11 Pages: 1090-1097

    • DOI

      10.2355/tetsutohagane.TETSU-2019-041

    • NAID

      130007738854

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 平衡相はなんだろう2019

    • Author(s)
      大沼郁雄
    • Journal Title

      ふぇらむ

      Volume: 24 Pages: 82-88

    • Related Report
      2019 Annual Research Report
  • [Journal Article] 計算状態図(CALPHAD)の進展と軽金属への応用2019

    • Author(s)
      大沼郁雄
    • Journal Title

      軽金属

      Volume: 69 Pages: 340-347

    • Related Report
      2019 Annual Research Report
  • [Journal Article] ハイエントロピー合金における拡散と熱力学2019

    • Author(s)
      小山敏幸,
    • Journal Title

      日本金属学会シンポジウム予稿「ハイエントロピー合金の材料科学」

      Volume: ー Pages: 9-14

    • Related Report
      2019 Annual Research Report
  • [Journal Article] Phase-field Simulation of the Effect of Interphase Boundary Diffusion on Pearlite Transformation in Fe-C System2019

    • Author(s)
      Mouri Masato、Tsukada Yuhki、Koyama Toshiyuki
    • Journal Title

      Tetsu-to-Hagane

      Volume: 105 Issue: 2 Pages: 305-313

    • DOI

      10.2355/tetsutohagane.TETSU-2018-081

    • NAID

      130007585474

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Monte Carlo Simulation for Formation of Ti and N Atoms Nanoclusters in BCC-Fe2019

    • Author(s)
      Enoki Masanori、Ohtani Hiroshi
    • Journal Title

      Tetsu-to-Hagane

      Volume: 105 Issue: 2 Pages: 334-342

    • DOI

      10.2355/tetsutohagane.TETSU-2018-111

    • NAID

      130007585446

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 鉄鋼材料の状態図に現れる二相分離とミクロ組織2019

    • Author(s)
      大谷博司、榎木勝徳
    • Journal Title

      ふぇらむ

      Volume: 24 Pages: 138-144

    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Journal Article] Real Space Cluster Expansion for Total Energies of Pd-Rich PdX (X = Rh, Ru) Alloys, Based on Full-Potential KKR Calculations: An Approach from a Dilute Limit2018

    • Author(s)
      Chang Liu, Mitsuhiro Asato, Nobuhisa Fujima, Toshiharu Hoshino, Ying Chen and Tetsuo Mohri
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 59 Issue: 11 Pages: 1669-1676

    • DOI

      10.2320/matertrans.M2018194

    • NAID

      40021711574

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2018-11-01
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Development and Applications of Thermodynamic Database of Cu-base Structural Materials2018

    • Author(s)
      大沼郁雄
    • Journal Title

      Materia Japan

      Volume: 57 Issue: 9 Pages: 420-425

    • DOI

      10.2320/materia.57.420

    • NAID

      130007479373

    • ISSN
      1340-2625, 1884-5843
    • Year and Date
      2018-09-01
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Journal Article] Phase-field simulation of spinodal decomposition and its effect on stress-induced martensitic transformation in Ti?Nb?O alloys2018

    • Author(s)
      Ishiguro Yuya、Tsukada Yuhki、Koyama Toshiyuki
    • Journal Title

      Computational Materials Science

      Volume: 151 Pages: 222-230

    • DOI

      10.1016/j.commatsci.2018.05.003

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure2018

    • Author(s)
      S. Iikubo, K. Shimoyama, S. Kawano, M. Fujii, K. Yamamoto, M. Matsushita, T. Shinmei, Y. Higo, H. Ohtani.
    • Journal Title

      AIP Advances

      Volume: 8 Issue: 1 Pages: 015008-015008

    • DOI

      10.1063/1.5011401

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-Principles Study on Hydrogen Diffusivity in BCC, FCC, and HCP Iron2018

    • Author(s)
      Hirata K.、Iikubo S.、Koyama M.、Tsuzaki K.、Ohtani H.
    • Journal Title

      Metallurgical and Materials Transactions A

      Volume: 49 Issue: 10 Pages: 5015-5022

    • DOI

      10.1007/s11661-018-4815-9

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computational phase diagrams for the Nd-based magnets based on the combined ab initio/ CALPHAD approach2018

    • Author(s)
      Taichi Abe, Ying Chen, Arkapol Saengdeejing and Yoshinao Kobayashi
    • Journal Title

      Scripta Materialia

      Volume: 154 Pages: 305-310

    • DOI

      10.1016/j.scriptamat.2018.01.030

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Experimental determination of phase diagram in the Zn-Fe binary system2018

    • Author(s)
      Han K.、Ohnuma I.、Okuda K.、Kainuma R.
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 737 Pages: 490-504

    • DOI

      10.1016/j.jallcom.2017.11.320

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effects of Liquid Indium Particles on Recrystallization and Grain Growth of αFe in Fe-In Alloys2018

    • Author(s)
      Hagisawa Takehito、Omori Toshihiro、Ohnuma Ikuo、Kainuma Ryosuke、Ishida Kiyohito
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 59 Issue: 2 Pages: 188-197

    • DOI

      10.2320/matertrans.MC201707

    • NAID

      130006318931

    • ISSN
      1345-9678, 1347-5320
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gibbs energy functions with the vacancy complexes in the Al-Cu binary system2018

    • Author(s)
      Abe Taichi、Shimono Masato、Hashimoto Kiyoshi、Kocer Cenk
    • Journal Title

      Data in Brief

      Volume: 21 Pages: 432-440

    • DOI

      10.1016/j.dib.2018.09.092

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A description of vacancy complexes in an FCC solid solution within the framework of the CALPHAD Method2018

    • Author(s)
      Abe Taichi、Shimono Masato、Hashimoto Kiyoshi、Kocer Cenk
    • Journal Title

      Calphad

      Volume: 63 Pages: 100-106

    • DOI

      10.1016/j.calphad.2018.08.010

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] 材料工学へのデータサイエンス手法の適用2018

    • Author(s)
      小山敏幸、塚田祐貴
    • Journal Title

      ふぇらむ

      Volume: 23 Pages: 680-686

    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Stability of transition metal high entropy alloys: from First-principles and machine learning2023

    • Author(s)
      Ying Chen, Nguyen-Dung Tran, Chang Liu, X. Wang and Jun Ni
    • Organizer
      TMS 2023
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT investigation of FeNiCoCrMnAl and FeNiCoCrPdAl high entropy alloys: fully disordered versus partially disordered2023

    • Author(s)
      Nguyen-Dung Tran, Ying Chen
    • Organizer
      TMS 2023
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles investigation of alloying element migration and intermetallic phase formation in a Cr-alloy coated Zr-alloy accident tolerant nuclear fuel system2023

    • Author(s)
      Theresa Davey, Ying Chen
    • Organizer
      TMS 2023
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Solid solution and partially disordered FeNiCoCrMnAl and FeNiCoCrPdAl high entropy alloys: an insight from first -principles2023

    • Author(s)
      Nguyen-Dung Tran, Ying Chen
    • Organizer
      HEA International Workshop
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 自動微分を用いた拡散対プロファイルの解析2023

    • Author(s)
      櫻井一輝, 松岡佑亮, 塚田祐貴, 小山敏幸
    • Organizer
      日本金属学会2023年春期大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Stability of intermetallic phases in Cr-alloy coated Zr-alloy cladding of nuclear fuel element: A first-principles study2022

    • Author(s)
      Ying Chen, Theresa Davey
    • Organizer
      PBNC 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] CrMnFeCoNi合金系の熱力学データベース構築2022

    • Author(s)
      及川勝成、上島伸文
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 拡散解析:基礎から最先端へ2022

    • Author(s)
      小山敏幸
    • Organizer
      日本金属学会セミナー(特別講座)
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 構成式のアナロジーとフェーズフィールド解析に基づく統合型複合材料設計2022

    • Author(s)
      小山敏幸
    • Organizer
      日本金属学会2023年春期講演大会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第一原理クラスター展開を用いた合金中の SRO と MSAD の評価2022

    • Author(s)
      榎木勝徳, 大谷博司
    • Organizer
      第32回日本MRS年次大会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金における規則-不規則変態挙動の熱力学的解析2022

    • Author(s)
      大谷博司,榎木勝徳
    • Organizer
      日本金属学会 2022年秋期 (第171回) 講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 金属材料中の準安定ナノクラスター2022

    • Author(s)
      榎木勝徳, 大谷博司
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Atomic mobility assessment in ternary fcc Co-Cr-Mn system2022

    • Author(s)
      S.P. Pendem, N. Ueshima, K. Oikawa
    • Organizer
      MS&T2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Kinetic and thermodynamic assessment in ternary fcc Co-Cr-Mn alloy2022

    • Author(s)
      S. P. Pendem, N. Ueshima, K. Oikawa, Y. Tsukada, T. Koyama
    • Organizer
      本金属学会2022年秋期(第171回)講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Fe-Mn-Ni系合金における相互拡散係数の決定2022

    • Author(s)
      庄子智明, 上島伸文, 及川勝成
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Co-Mn-Ni系合金の相互拡散係数の決定2022

    • Author(s)
      宮崎紘平, 上島伸文, 及川勝成
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Intermetallic phase formation and alloying element migration in a Cr-alloy coated Zr-alloy cladding system2022

    • Author(s)
      Theresa Davey, Ying Chen
    • Organizer
      NuMat 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] DFT calculations of stability of FeNiCoMn, FeNiCrMn and Pd-sub-Mn effects2022

    • Author(s)
      Nguyen-Dung Tran, Ying Chen
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Thermodynamic database of the Sm-Fe-B ternary system from first-principles calculations2022

    • Author(s)
      Saengdeejing Arkapol, Chen Ying
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Migration of alloying elements and formation of intermetallic phases between chromium- based and zirconium-based alloys2022

    • Author(s)
      Theresa Davey, Ying Chen
    • Organizer
      TOFA 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles study of phase transformation in zirconia: electronic structure, phonon dispersion and symmetry analysis2022

    • Author(s)
      Ying Chen, Lei Wang, Tetsuo Mohri
    • Organizer
      PTM 2020(postponed, online, June 27-23, 2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ガラスにおける組織ドメイン境界移動のモデリング2022

    • Author(s)
      長尾一生, 塚田祐貴, 小山敏幸
    • Organizer
      日本機械学会第35回計算力学講演会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Mg合金のベークハード処理における転位固着力のフェーズフィールド解析2022

    • Author(s)
      中村太一, 塚田祐貴, 小山敏幸
    • Organizer
      日本機械学会第35回計算力学講演会
    • Related Report
      2022 Annual Research Report
  • [Presentation] CALPHADデータベースを活用した多成分系合金の粒界偏析予測2022

    • Author(s)
      塚田祐貴, 舟本将崇, 松岡佑亮,小山敏幸
    • Organizer
      日本金属学会2022年秋期講演大会,
    • Related Report
      2022 Annual Research Report
  • [Presentation] Fe-Zn合金の界面相形成に対するフェーズフィールド解析とアジョイント法への展開2022

    • Author(s)
      塩谷俊佑, 塚田祐貴, 小山敏幸
    • Organizer
      日本鉄鋼協会第184回秋季講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] セルフコンシステント・セカント法を用いた複合組織の力学特性解析2022

    • Author(s)
      是永琢斗, 塚田祐貴, 小山敏幸
    • Organizer
      日本金属学会2022年秋期講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Zn-Fe-Al 3元系相平衡の実験的決定2022

    • Author(s)
      李 仁鎬, 韓 光植, 大沼 郁雄, 貝沼 亮介
    • Organizer
      日本鉄鋼協会2022年秋季(第184回)講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ハイエントロピー合金の強度に及ぼす因子の熱力学的検討2022

    • Author(s)
      大谷博司, 榎木勝徳
    • Organizer
      日本金属学会 2022年春期 (第170回) 講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] FCC-FeにおけるB原子対の固溶状態と拡散挙動の電子論的考察2022

    • Author(s)
      榎木勝徳,大谷博司
    • Organizer
      日本金属学会 2022年春期 (第170回) 講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 鉄-炭素系マルテンサイトにおける準安定炭化物の生成過程の熱力学的検討2022

    • Author(s)
      榎木勝徳,大澤洋平, 大谷博司
    • Organizer
      日本鉄鋼協会 2022年春季 (第183回) 講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Prediction of stable solid solution of transition metal ternaries by first-principles calculation and machine learning2022

    • Author(s)
      Tran Nguyen-Dung, Cheng Liu, Ying Chen
    • Organizer
      日本金属学会2022年春期大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 多成分Ni基耐熱合金のγ’組織形成に対する工学的シミュレーション2022

    • Author(s)
      伊藤航亮, 小山敏幸, 塚田祐貴
    • Organizer
      日本金属学会2022年春期講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 状態図研究会への期待2021

    • Author(s)
      大谷 博司
    • Organizer
      状態図・計算熱力学研究会 第二回研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算を用いたハイエントロピー合金の熱力学的安定性と短範囲規則化傾向の評価2021

    • Author(s)
      榎木 勝徳, 大谷 博司
    • Organizer
      状態図・計算熱力学研究会 第二回研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 合金状態図計算法の現在と未来2021

    • Author(s)
      大谷 博司
    • Organizer
      日本金属学会東海支部 2021年度 本多光太郎記念講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金の熱力学2021

    • Author(s)
      阿部 太一, 韓 光植, 大沼 郁雄
    • Organizer
      日本金属学会2021年秋期(第169回)講演大会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金における短範囲規則をどう理解するか?2021

    • Author(s)
      小山敏幸, 塚田祐貴
    • Organizer
      状態図・計算熱力学研究会 第2回研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] フェーズフィールド法に基づく相分離シミュレーションと材料特性2021

    • Author(s)
      小山敏幸
    • Organizer
      第25回高分子計算機科学研究会講座「理論・シミュレーションの基礎」
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金における遅い拡散の可能性に対する理論解析2021

    • Author(s)
      小山敏幸
    • Organizer
      粉体粉末冶金協会2021年度秋季大会「金属ガラス・ナノ結晶材料および高エントロピー合金の基礎と応用に関する新たな展開」
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] CrFeCoNiM (M=Pd, Pt)合金の熱力学的性質の評価2021

    • Author(s)
      大谷博司,榎木勝徳
    • Organizer
      日本金属学会 2021年秋期 (第169回) 講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] クラスター展開法を用いたCantor合金の平均二乗原子変位の評価2021

    • Author(s)
      榎木勝徳,大谷博司
    • Organizer
      日本金属学会 2021年秋期 (第169回) 講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] First-Principles Investigation of CrFeNiCoMn and CrFeNiCoPd Quinary High Entropy Alloys2021

    • Author(s)
      Tran Nguyen-Dung, Arkapol Saengdeejing, Ying Chen
    • Organizer
      The Material Research Meeting 2021, Pacifico Yokohama North, Yokohama, Japan
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Phase equilibria of the subsystem of Cantor alloy-Cr-Co-Mn alloys2021

    • Author(s)
      H.G. Li, N. Ueshima, K. Oikawa
    • Organizer
      The Material Research Meeting 2021, Pacifico Yokohama North, Yokohama, Japan
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Phase equilibria and Diffusion kinetics in Fe-Co-Mn ternary system2021

    • Author(s)
      S.P. Pendem, N. Ueshima, K. Oikawa
    • Organizer
      The Material Research Meeting 2021, Pacifico Yokohama North, Yokohama, Japan
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Cr-Mn系とCr-Mn-Co系状態図の熱力学アセスメント2021

    • Author(s)
      李浩歌, 上島伸文, 及川勝成
    • Organizer
      日本金属学会2021年秋期大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Interdiffusion in Co-Fe-Mn alloys2021

    • Author(s)
      スリ プラグナ ペンデム, 上島伸文, 及川勝成
    • Organizer
      粉体粉末冶金協会2021年度秋季大会(第128回講演大会)
    • Related Report
      2021 Annual Research Report
  • [Presentation] Diffusion Kinetics in Ternary Co-Fe-Mn Alloy2021

    • Author(s)
      スリ プラグナ ペンデム, 上島伸文, 及川勝成,
    • Organizer
      日本金属学会2021年秋期(第169回)講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ハイエントロピー合金の短範囲規則をどう理解するか?2021

    • Author(s)
      小山敏幸, 塚田祐貴
    • Organizer
      日本金属学会2021年秋期大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] アジョイント法によるスピノーダル分解のフェーズフィールドモデルパラメータの推定2021

    • Author(s)
      松浦祐樹, 塚田祐貴, 小山敏幸
    • Organizer
      日本機械学会第34回計算力学講演会
    • Related Report
      2021 Annual Research Report
  • [Presentation] アジョイント法による一般化KJMA式のパラメータ推定2021

    • Author(s)
      松浦祐樹, 小山敏幸, 塚田祐貴, 中澤克昭, 溝口照康
    • Organizer
      日本金属学会2021年秋期講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 連続冷却過程で形成されるTi-Nb-O合金のβ相相分離組織のマルテンサイト変態への影響2021

    • Author(s)
      宮原広行, 塚田祐貴, 小山敏幸
    • Organizer
      日本金属学会2021年秋期講演大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ハイエントロピー合金の安定性と熱力学特性の第一原理計算:CrFeNiCoMnとCrFeNiCoPdの場合2021

    • Author(s)
      陳迎, Tran Nguyen-Dung, Saengdeejing Arkapol
    • Organizer
      日本金属学会 2021年春期 (第168回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Computation of Thermodynamics and Stability of FeNiCoCr(Mn/Pd) High Entropy Alloys: Competition between Equiatomic and Non-equiatomic2021

    • Author(s)
      Tran Nguyen-Dung, Ying Chen
    • Organizer
      TMS 2021 (virtual)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Martensitic transformation in Ni-Ga-Cr system2021

    • Author(s)
      J. J. Ruan, H. G. Li, N. Ueshima, K. Oikawa
    • Organizer
      日本金属学会2021年春期(第168回)講演大会、オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] Phase equilibria and diffusion kinetics in Fe-Co-Mn ternary system2021

    • Author(s)
      S. P. Pendem, N. Ueshima, K. Oikawa
    • Organizer
      日本金属学会2021年春期(第168回)講演大会、オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] Investigation and thermodynamic assessment on the σ-phase-related equilibria in Cr-Mn-Co system2021

    • Author(s)
      H. G. Li, N. Ueshima, K. Oikawa
    • Organizer
      日本金属学会2021年春期(第168回)講演大会、オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] ハイエントロピー合金における遅い拡散の可能性について2021

    • Author(s)
      小山敏幸, 塚田祐貴
    • Organizer
      日本金属学会2021年春期(第168回)講演大会、オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] Estimation of Material Parameters in High-Entropy Alloy by Adjoint Method Derived from Phase-Field Method2020

    • Author(s)
      T. Koyama
    • Organizer
      2020 MRS Fall Meeting (Virtual)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] High entropy alloy effect on stability of potential permanent magnets2020

    • Author(s)
      Y. Chen, T. Nguyen-Dung and A. Saengdeejing
    • Organizer
      TMS2020(Virtual)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 計算熱力学・計算組織学・データ科学のハイエントロピー合金への応用2020

    • Author(s)
      小山敏幸, 大谷博司, 及川勝成, 阿部太一
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 計算熱力学および計算組織学に基づく安定相・安定組織の材料デザイン2020

    • Author(s)
      小山敏幸
    • Organizer
      第81回応用物理学会秋季学術講演会, オンライン
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 材料設計計算工学の未来はここに!!!2020

    • Author(s)
      小山敏幸
    • Organizer
      産学官連携交流会 in 松本 2020 産業技術の芽シーズ発表会, オンライン
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Cantor 合金における短範囲規則化傾向と機械的特性との関係2020

    • Author(s)
      榎木勝徳,大谷博司
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 粒界相モデルに基づくNi 基耐熱合金における粒界偏析計算2020

    • Author(s)
      舟本将崇, 松岡佑亮, 塚田祐貴, 小山敏幸
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] ガラスのスピノーダル分解組織に基づく材料パラメータ推定法の構築2020

    • Author(s)
      松浦祐樹, 松岡佑亮, 塚田祐貴, 小山敏幸, 中澤克昭, 溝口照康
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] Mg 合金の転位偏析に対するフェーズフィールド解析2020

    • Author(s)
      森 祥吉, 塚田祐貴, 小山敏幸
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] 電子論計算に基づく理論状態図の構築2020

    • Author(s)
      大谷博司, 榎木 徳
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] モンテカルロ法を用いた Co-Nb 2 元系 fcc 相における準安定平衡状態図の計算2020

    • Author(s)
      柳 玉恒, 堀内寿晃, 榎木勝徳, 大谷博司
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] First-principles Study of Stability in of (Sm,X)(Fe,Y)12 with Multi-elements Alloying2020

    • Author(s)
      Arkapol Saengdeejing, Ying Chen
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] Phase equilibria in Mn rich corner in Mn-Fe-Cr ternary system2020

    • Author(s)
      J. J. Ruan, N. Ueshima, K. Oikawa
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] Experimental investigations on Cr-Co-Mn ternary phase diagram2020

    • Author(s)
      H. G. Li, N. Ueshima, K. Oikawa
    • Organizer
      日本金属学会 2020年秋期 (第167回) 講演大会, オンライン
    • Related Report
      2020 Annual Research Report
  • [Presentation] ハイエントロピー合金における緩和拡散の妥当性について2020

    • Author(s)
      小山敏幸, 鈴木竣, 塚田祐貴
    • Organizer
      日本金属学会春期大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Stability of Medium-Entrory FeNiCoCrMn/Pd Ternaries: A First Principle Study2020

    • Author(s)
      T. Nguyen-Dung and Y. Chen
    • Organizer
      日本金属学会2020年春期大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Experimental investigation on Cr-Ni-Mn ternary phase diagram2020

    • Author(s)
      H. Li, N. Ueshima and K. Oikawa
    • Organizer
      日本金属学会 2020年春期 第166回講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Experimental investigations on the phase equilibria of ternary Fe-Mn-Cr system2020

    • Author(s)
      J. J. Ruan, N. Ueshima and K. Oikawa,
    • Organizer
      日本金属学会 2020年春期 第166回講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Experimental determination and computational examination of phase diagrams in the ternary systems involved in High Entropy Alloys2020

    • Author(s)
      韓 光植, 大沼 郁雄, 阿部 太一,
    • Organizer
      日本金属学会2020年春季大会,
    • Related Report
      2019 Annual Research Report
  • [Presentation] High entropy alloy effect on stability of potential permanent magnets2020

    • Author(s)
      Y. Chen, T. Nguyen-Dung and A. Saengdeejing
    • Organizer
      TMS2020
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 新しい多元系材料ハイエントロピー合金の現状と未来2020

    • Author(s)
      小山敏幸, 鈴木竣, 塚田祐貴
    • Organizer
      第67回応用物理学会春季学術講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] "チタン合金の析出相形状変化に基づく材料パラメータ推定(ポスター発表)2019

    • Author(s)
      佐藤勇気, 小山敏幸
    • Organizer
      日本金属学会・日本鉄鋼協会東海支部第29回学生による材料フォーラム
    • Related Report
      2019 Annual Research Report
  • [Presentation] 拡散対データとアジョイント法を活用したハイエントロピー合金における材料パラメータ推定2019

    • Author(s)
      鈴木竣, 小山敏幸, 塚田祐貴
    • Organizer
      日本金属学会2019年秋期講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Ti-Nb-O合金の連続冷却中に生じるβ相相分離と冷却速度の関係(ポスター発表)2019

    • Author(s)
      石黒雄也, 塚田祐貴, 小山敏幸,
    • Organizer
      日本金属学会2019年秋期講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 三元系スピノーダル分解のフェーズフィールドモデルにおけるパラメータ推定法の構築2019

    • Author(s)
      松浦祐樹, 加藤大暉, 塚田祐貴, 小山敏幸
    • Organizer
      日本金属学会2019年秋期講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 計算熱力学と機械学習を活用したハイエントロピー合金の固溶体条件推定2019

    • Author(s)
      松永一努, 小山敏幸, 塚田祐貴, 野本祐春
    • Organizer
      日本金属学会2019年秋期講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 鉄鋼のマルテンサイト変態組織に及ぼす材料パラメータの影響2019

    • Author(s)
      塚田祐貴, 村井良洋, 小山敏幸,
    • Organizer
      日本計算工学会第24回計算工学講演会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ハイエントロピー合金の形成要因の熱力学的検討2019

    • Author(s)
      大谷 博司,榎木 勝徳
    • Organizer
      日本金属学会 2019年秋期(第165回)講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Study of thermodynamic stability of HEA alloy using first principles calculation2019

    • Author(s)
      M. Enoki, H. Ohtani,
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Experimental determination and thermodynamic evaluation of Cr-Mn-Ni system2019

    • Author(s)
      H. Li, N. Ueshima and K. Oikawa
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Calculation of grain boundary segregation in steels by CALPHAD method2019

    • Author(s)
      I. Ohnuma, T. Hara and T. Ohmura
    • Organizer
      CALPHAD 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] BCC-HCP-FCC Multiple Martensitic Transformations in Fe-Co-Cr-Mn High Entropy Alloys2019

    • Author(s)
      T. Omori, K. Ando, I. Ohnuma, R. Kainuma, K. Ishida
    • Organizer
      CALPHAD 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Experimental determination of phase diagrams in the Al-Fe-Si ternary system2019

    • Author(s)
      R. Ishikawa, K. Han, I. Ohnuma, R. Kainuma,
    • Organizer
      CALPHAD 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Variation of interfacial compositions with increasing reaction time in solid Fe / liquid Zn diffusion couples2019

    • Author(s)
      K. Han, I. Ohnuma, I. Lee, Y. Hayakawa, R. Kainuma
    • Organizer
      CALPHAD 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Magnetic contributions on the vacancy formation in pure elements2019

    • Author(s)
      T. Abe, M. Shimono
    • Organizer
      CALPHAD2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Formation of the thermal vacancy in high entropy alloys2019

    • Author(s)
      T. Abe, T. Koyama, I. Ohnuma
    • Organizer
      MRS2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Study on thermodynamic properties of high entropy alloys", PRICM 10, Xi’an China, August 18-22, 2019.2019

    • Author(s)
      H. Ohtani, M. Enoki
    • Organizer
      PRICM 10
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Effects of Random mixing and high entropy on stability of promising new permanent magnets2019

    • Author(s)
      Y. Chen, T. Nguyen-Dung and A. Saengdeejing
    • Organizer
      ACCMS-10
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] フェーズフィールド法およびデータ同化手法の銅合金への適用2019

    • Author(s)
      小山敏幸, 鈴木竣, 塚田祐貴
    • Organizer
      日本銅学会第59回講演大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 材料組織シミュレーションと機械学習・データ同化2019

    • Author(s)
      塚田祐貴, 小山敏幸
    • Organizer
      情報統合型物質・材料開発イニシアティブ第8回MI2Iフォーラム
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 計算熱力学・計算組織学・材料情報学による材料設計の加速2019

    • Author(s)
      小山敏幸
    • Organizer
      金属第59回・鉄鋼第62回中国四国支部講演大会, 本多光太郎記念講演
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算による銅合金の積層欠陥エネルギーの評価2019

    • Author(s)
      大谷博司,榎木勝徳
    • Organizer
      日本銅学会第59回講演大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金における拡散と熱力学2019

    • Author(s)
      小山敏幸
    • Organizer
      日本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] 材料設計計算工学へのデータサイエンスの適用2019

    • Author(s)
      小山敏幸
    • Organizer
      革新材料研究センターセミナー
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] CALPHAD法とフェーズフィールド法を活用した先進材料開発2019

    • Author(s)
      小山敏幸
    • Organizer
      次世代計測加工技術者養成事業「デジタル技術×モノづくり」セミナー
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Exploring first principles-based phase diagrams using a modified CALPHAD approach2019

    • Author(s)
      Theresa Davey, Nguyen-Dung Tran and Ying Chen
    • Organizer
      CALPHAD 2019
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Formation reactions of intermetallic compound layers in pure Fe / molten Zn diffusion couple held at 450C2019

    • Author(s)
      K. Han, I. Lee, I. Ohnuma, Y. Hayakawa, R. Kainuma
    • Organizer
      TMS 2019
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Reassessment of Zn-rich corner phase diagrams in the Zn-Fe-Al ternary system2019

    • Author(s)
      I. Lee, K. Han, I. Ohnuma, R. Kainuma
    • Organizer
      TMS 2019
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Microstructure-property analysis accelerated by machine learning technique with phase-field method and image-based property calculations2018

    • Author(s)
      T. Koyama、Y. Tsukada
    • Organizer
      The 13th World Congress on Computational Mechanics
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 材料組織変化の情報を用いた準安定相のギブスエネルギーパラメーター推定2018

    • Author(s)
      石戸大貴, 塚田祐貴, 小山敏幸
    • Organizer
      日本機械学会第31回計算力学講演会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 拡散対データとアジョイント法を活用した材料パラメータ推定2018

    • Author(s)
      鈴木竣, 塚田祐貴, 小山敏幸,
    • Organizer
      日本機械学会第31回計算力学講演会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 機械学習を活用したフェーズフィールド計算手法の改良2018

    • Author(s)
      松永一努, 塚田祐貴, 小山敏幸, 野本祐春
    • Organizer
      日本金属学会2018年秋期講演大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 機械学習を援用した不均一組織の特徴量と材料特性の関連性の解明2018

    • Author(s)
      清水睦博, 塚田祐貴, 小山敏幸,
    • Organizer
      日本金属学会・日本鉄鋼協会東海支部第28回学生による材料フォーラム
    • Related Report
      2018 Annual Research Report
  • [Presentation] ニューラルネットワークを活用したフェーズフィールド計算手法の改良2018

    • Author(s)
      松永一努, 水谷巧, 松岡佑亮, 塚田祐貴, 小山敏幸,
    • Organizer
      日本金属学会日本鉄鋼協会東海支部第28回学生による材料フォーラム
    • Related Report
      2018 Annual Research Report
  • [Presentation] フェーズフィールド法・特性計算・インフォマティクスによる次世代材料開発2018

    • Author(s)
      小山敏幸
    • Organizer
      平成30年度AMICセミナー「産業技術の芽」シーズ発表会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 計算熱力学および計算組織学の将来展望", 第59回素形材技術担当者会議,2018

    • Author(s)
      小山敏幸
    • Organizer
      第59回素形材技術担当者会議
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 計算組織学の観点から眺めた構造材料研究の最近の進展2018

    • Author(s)
      小山敏幸
    • Organizer
      本多光太郎・湯川記念合同講演会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 計算熱力学・計算組織学・材料情報学の連携による材料開発の加速2018

    • Author(s)
      小山敏幸
    • Organizer
      東北大学金属材料研究所 計算材料科学センターセミナー
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Thermodynamic approach to grain boundary segregation2018

    • Author(s)
      H. Ohtani, M. Enoki
    • Organizer
      CALPHAD XLVII
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] モンテカルロ法を用いたMg-Nd合金の時効初期過程の熱力学的検討2018

    • Author(s)
      矢部岳大, 榎木勝徳, 大谷博司
    • Organizer
      日本金属学会第163回講演大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] First-principles-only phase diagram for the Al-Ni system2018

    • Author(s)
      Theresa Davey, Nguyen-Dung Tran, Arkapol Saengdeejing, Ying Chen
    • Organizer
      日本金属学会2019春期大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] CALPHAD法による鉄鋼材料の粒界偏析計算2018

    • Author(s)
      大沼郁雄,原徹,大村孝仁,
    • Organizer
      日本鉄鋼協会第175回秋期講演大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Phase equilibria in the Zn-Fe-Al ternary system at 450°C2018

    • Author(s)
      I. Lee, K. Han, I. Ohnuma, R. Kainuma
    • Organizer
      TOFA 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Thermodynamic Evaluation of Segregation and Local Ordering Behavior in Dilute Mg-Zn-Y alloy2018

    • Author(s)
      M. Egami, I. Ohnuma, M. Enoki, H. Ohtani, E. Abe
    • Organizer
      TOFA 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Microstructure-property analysis accelerated by machine learning technique with phase-field method and image-based property calculations2018

    • Author(s)
      Y. Tsukada, E. Harata, T. Koyama
    • Organizer
      The 13th World Congress on Computational Mechanics
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Full first-principles calculation of oxygen self-diffusion and thermal expansion in Zirconia2018

    • Author(s)
      Ying Chen, Hubin Luo, Lei Wang and Tetsuo Mohri
    • Organizer
      ICM3-2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 計算熱力学・計算組織学・情報材料学の融合によるハイエントロピー合金設計の加速2018

    • Author(s)
      小山敏幸, 塚田祐貴
    • Organizer
      日本金属学会2018年秋期大会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 格子欠陥の熱力学2018

    • Author(s)
      阿部太一
    • Organizer
      日本鉄鋼協会・日本金属学会関西支部鉄鋼プロセス研究会・材料化学研究会, 平成30年度第2回合同研究会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Book] Encyclopedia of Materials: Metals and Alloys2022

    • Author(s)
      M. Enoki, H. Ohtani,
    • Publisher
      Elsevier inc.
    • Related Report
      2022 Annual Research Report
  • [Book] マテリアルズインフォマティクスのためのデータ作成とその解析・応用事例, 第4章 第5節 精度と観測コストのトレードオフを考慮したベイズ的探索法:材料パラメータ推定での適用事例2021

    • Author(s)
      烏山昌幸, 竹野思温, 塚田祐貴, 小山敏幸, 志賀元紀
    • Total Pages
      500
    • Publisher
      技術情報協会
    • ISBN
      9784861048548
    • Related Report
      2021 Annual Research Report
  • [Book] ハイエントロピー合金2020

    • Author(s)
      乾 晴行(編著) [1章(小山,大谷), 2章(小山,阿部)]
    • Total Pages
      296
    • Publisher
      内田老鶴圃
    • ISBN
      9784753651375
    • Related Report
      2020 Annual Research Report
  • [Book] 材料設計計算工学 計算熱力学編(増補新版)2019

    • Author(s)
      阿部太一
    • Total Pages
      208
    • Publisher
      内田老鶴圃
    • Related Report
      2019 Annual Research Report
  • [Book] 材料設計計算工学 計算組織学編(増補新版)2019

    • Author(s)
      小山敏幸
    • Total Pages
      170
    • Publisher
      内田老鶴圃
    • Related Report
      2019 Annual Research Report
  • [Remarks] 材料の組織と特性解析に対する計算工学的手法の開発(Phase-fieldモデリング)

    • URL

      https://www.material.nagoya-u.ac.jp/PFM/Phase-Field_Modeling.htm

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] 計算状態図データベース (CPDDB)

    • URL

      https://cpddb.nims.go.jp/

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report

URL: 

Published: 2018-07-20   Modified: 2024-01-30  

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