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Time dependent Phase Diagram

Research Project

Project/Area Number 17560580
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical properties of metals
Research InstitutionHokkaido University

Principal Investigator

MOHRI Tetsuo  Hokkaido Univ., Grad.School of Eng., Prof., 大学院工学研究科, 教授 (20182157)

Project Period (FY) 2005 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥3,200,000 (Direct Cost: ¥3,200,000)
Fiscal Year 2006: ¥900,000 (Direct Cost: ¥900,000)
Fiscal Year 2005: ¥2,300,000 (Direct Cost: ¥2,300,000)
KeywordsPhase Diagram / Cluster Variation Method / Phase Field Method / Path Probability Method / Coarse graining / 自己触媒反応 / 時空粗視化 / スケーリング則
Research Abstract

Time dependent phase diagram is a hypothetical phase diagram which posses a time axis in addition to an ordinary composition axis. Hence, in the infinite time limit, it emerges to an equilibrium phase diagram. In order to deal with time dependent phenomena which is the basis of the time dependent phase diagram, we employed two theoretical tools. One is the Cluster Variation Method (and Path Probability Method) and the other is the Phase Field Method. In addition to these two methods, electronic structure calculation is also attempted to perform first-principles calculations. The Phase Field Method consists of Cahn-Hilliard diffusion equation and Time dependent Ginzubrug Landau equation. In general, Phase filed Method is employed to deal with microstructure evolution process and not much attempt has been performed for atomistic calculations. While Cluster Variation Method is the atomistic theory and deal with the statistical mechanics on the discrete lattice. In order to describe the multiscale phenomena from atomistic to microstructural scale in a consistent manner, it is indispensable to introduce a proper coarse graining procedure. The renormalization group theory is a rigorous mathematical tool, however it is not an easy task to apply the theory to individual problems. The body of this project has been devoted to establish and introduce coarse graining procedure which is proper enough to provide a reasonable result and efficient enough to perform calculations within a reasonable time scale. The developed method enables us to attempt first principles calculation of time evolution process of Anti Phase Boundary associated with the disorder-L10 transition for Fe-Pd and Fe-Pt systems. The procedure is quite powerful, however the coarse graining of the time scale remains as the future subject. This will be settled by extending Path Probability Method, and preliminary calculations are already attempted.

Report

(3 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • Research Products

    (44 results)

All 2007 2006 2005

All Journal Article (40 results) Book (4 results)

  • [Journal Article] Theoretical Study of Glass Transition Based on Cluster Variation Method2007

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Materials Science Forum 539-543

      Pages: 2425-2430

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] From Phase Equilibria to Transformation Dynamics2007

    • Author(s)
      T.Mohri, M.Ohno, Y.Chen
    • Journal Title

      Defect and Diffusion Forum 263

      Pages: 21-30

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] From Phase Equilibria to Transformation Dynamics2007

    • Author(s)
      Mohri, M.Ohno, Y.Chen
    • Journal Title

      Defect and Diffusion Forum 263

      Pages: 21-30

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Calculations of Phase Equilibria and Transformation Dynamics of Fe-Based Alloys2006

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      J. Phase Equlibria and Diffusion 27

      Pages: 47-53

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Deviation of congruent composition in Fe-Pd system2006

    • Author(s)
      Tetsuo Mohri, Daisuke Hamajima, Ying Chen
    • Journal Title

      RARE METALS 25

      Pages: 393-398

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-principles calculation of phase equilibria and phase separation of the Fe-Ni alloy system2006

    • Author(s)
      Ying Chen, Shuichi Iwata, Tetsuo Mohri
    • Journal Title

      RARE METALS 25

      Pages: 437-440

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Critical Estimation of Relaxation Coefficient in TDGL Equation Based on Path Probability Method2006

    • Author(s)
      Munekazu Ohno, Tetsuo Mohri
    • Journal Title

      Materials Transaction 47

      Pages: 2718-2724

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Fe-Ni系相平衡の第一原理計算2006

    • Author(s)
      陳迎, 壽福由有, 毛利哲雄
    • Journal Title

      日本学術振興会 合金状態図第172委員会研究報告書 6

      Pages: 119-122

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Fe-Ni, Fe-Pd, Fe-Pt相の相安定性、相平衡、相転移の理論2006

    • Author(s)
      毛利哲雄, 大野宗一, 陳迎
    • Journal Title

      日本応用磁気学会第146回研究会資料-L10型磁性規則合金の基礎とその進展-日本応用磁気学会

      Pages: 9-16

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Calculations of Phase Equilibria and Transformation Dynamics of Fe-Based Alloys2006

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      J.Phase Equilibria and Diffusion 27

      Pages: 47-53

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Critical Estimation of Relaxation Coefficient in TDGL Equation Based on Path Probability Method2006

    • Author(s)
      Munekazu Ohno, Tetsuoo Mohri
    • Journal Title

      Materials Transaction 47

      Pages: 2718-2724

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-principles calculation of Fe-Ni phase diagram2006

    • Author(s)
      Ying Chen, Yu Jufuku, Tetsuo Mohri
    • Journal Title

      Report of 172 Committee 6

      Pages: 119-122

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-principles calculation of phase stability, phase2006

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      Report of Japanese Society of Applied Magnetism

      Pages: 9-16

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Cluster Variation Method2006

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Nano Materials Engineering 6

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Calculations of Phase Equilibria and Transformation Dynamics of Fe-Based Alloys2006

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      J. Phase Equlibria and Diffusion 27

      Pages: 7-7

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Deviation of congruent composition in Fe-Pd system2006

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      RARE METALS 25

      Pages: 8-8

    • Related Report
      2006 Annual Research Report
  • [Journal Article] First-principles calculation of phase equilibria and phase separation of the Fe-Ni alloy system2006

    • Author(s)
      Ying Chen
    • Journal Title

      RARE METALS 25

      Pages: 4-4

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Critical Estimation of Relaxation Coefficient in TDGL Equation Based on Path Probability Method2006

    • Author(s)
      Munekazu Ohno
    • Journal Title

      Materials Trans. 47

      Pages: 7-7

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Theoretical investigation of Fe-based phase equilibria from the first-principles2005

    • Author(s)
      Ying Chen, Shuichi Iwata, Tetsuo Mohri
    • Journal Title

      Materials Science Forum 475-479

      Pages: 3127-3130

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2005 Annual Research Report
  • [Journal Article] Glass Transition within Cluster Variation and Path Probability Method2005

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Materials Transaction 46

      Pages: 1180-1186

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Glass Transition within Cluster Variation Method2005

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Transactions of the Materials Research Society of Japan 30

      Pages: 885-887

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Kinetics of Glass Transition Simulated by Path Probability Method2005

    • Author(s)
      Tetsuo Mohri, Yoshitaka Kobayashi
    • Journal Title

      Materials Transaction 46

      Pages: 2811-2816

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Investigation of Phase Equilibria of Fe-Based Alloy Systems2005

    • Author(s)
      Y.Chen, S.Iwata, T.Mohri
    • Journal Title

      Proceedings of an International Conference on Solid->Solid Phase Transformations in Inorganic Materials 2005

      Pages: 663-668

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] マルチスケールシミュレーションに関する粗視化の問題2005

    • Author(s)
      毛利哲雄, 大野宗一, 陳迎
    • Journal Title

      日本学術振興会 合金状態図第172委員会研究報告書 5

      Pages: 45-49

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] クラスター変分法とフェーズフィールド法の混成化による組織形成の第一原理計算2005

    • Author(s)
      大野宗一, 陳迎, 毛利哲雄
    • Journal Title

      日本機械学会誌 108

      Pages: 798-801

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2005 Annual Research Report
  • [Journal Article] Towards the first-principles investigation of Ordering Dynamics2005

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      Materials Science Forum 475-479

      Pages: 3075-3080

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2005 Annual Research Report
  • [Journal Article] Phenomenological Calculation of the Fe-Pd Based 110-ordered Phase in the Fe-Pd-Ni Ternary System2005

    • Author(s)
      T.Horiuchi, M.Igarashi, F.Abe, K.Ohkubo, S.Miura, T.Mohri
    • Journal Title

      Metallurgical and Materials Transaction A36

      Pages: 1999-2006

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2005 Annual Research Report
  • [Journal Article] First-Principles Calculation of Ordering Phase Transition2005

    • Author(s)
      T.Mohri, M.Ohno, Y.Chen
    • Journal Title

      Proceedings of an International Conference on Solid->Solid Phase Transformations in Inorganic Materials 2005

      Pages: 633-650

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2005 Annual Research Report
  • [Journal Article] Shuichi Iwata and Tetsuo Mohri Theoretical investigation of Fe-based phase equilibria from the first-principles2005

    • Author(s)
      Ying Chen
    • Journal Title

      Materials Science Forum 475-479

      Pages: 3127-3130

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Glass Transition within Cluster Variation and Path Probability Method2005

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Mat.Trans. 46

      Pages: 1180-1186

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Glass Transition within Cluster Variation Method2005

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Transactions of the Materials Research Society of Japan Vol.30

      Pages: 885-887

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Investigation of Phase Equilibria of Fe-Based Alloy Systems2005

    • Author(s)
      Y.Chen, S.Iwata, T.Mohri
    • Journal Title

      Proceedings of an International Conference on Solid->Solid Phase Transformations in Inorganic Materials 2005(ed.J.M.Howe et al.) (TMS)

      Pages: 663-668

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Coarse Graining operation in multi scale calculations2005

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      Report of 172 Committee 5

      Pages: 45-49

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Hybridization of Phase field and cluster Variation Methods towards First Principles Calculation of Microstructural Process2005

    • Author(s)
      Munekazu Ohno, Ying Chen, Tetsuo Mohri
    • Journal Title

      Journal of the Japan Society of Mechanical Engineers 108

      Pages: 798-801

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Towards the first-principles investigation of Ordering Dynamics2005

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      Materials Science Forum 475-489

      Pages: 3075-3080

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Phenomenological Calculation of the Fe-Pd Based L10-ordered Phase in the Fe-Pd-Ni Ternary System2005

    • Author(s)
      T.Horiuchi, M.Igarashi, F.Abe, K.Ohkubo, S.Miura, T.Mohri
    • Journal Title

      Metallurgical and Materials Transaction A36

      Pages: 1999-2006

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Calculation of Ordering Phase Transition2005

    • Author(s)
      T.Mohri, M.Ohno, Y.Chen
    • Journal Title

      Proceedings of an International Conference on Solid->Solid Phase Transformations in Inorganic Materials 2005(ed.J.M.Howe et al.) (TMS)

      Pages: 633-650

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-principles study from Electronic structure to Microstructure2005

    • Author(s)
      T.Mohri
    • Journal Title

      The Science of Complex Alloy Phases (Ed. T.Massalski, P.E.A.Turchi) (TMS)

      Pages: 109-145

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Ordering Processes Analyzed by Phase Field Method, CVM and PPM2005

    • Author(s)
      M.Ohno, T.Mohri
    • Journal Title

      Complex Inorganic Solids,-Structural, Stability and Magnetic Properties of Alloys-(Ed. by P.E.A.Turchi et al.) (Springer)

      Pages: 187-202

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] First-Principles Calculations of Phase Equilibria and Transformation Dynamics of Fe-Based Alloys2005

    • Author(s)
      Tetsuo Mohri, Munekazu Ohno, Ying Chen
    • Journal Title

      J.Phase Equlibria and Diffusion 27

      Pages: 47-53

    • Related Report
      2005 Annual Research Report
  • [Book] 「第2巻ナノ金属」ナノマテリアル工学体系2006

    • Author(s)
      毛利哲雄(分担執筆)
    • Total Pages
      6
    • Publisher
      フジ・テクノシステム
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Book] ナノマテリアル工学体系 「第2巻ナノ金属」2006

    • Author(s)
      毛利哲雄
    • Total Pages
      6
    • Publisher
      フジ・テクノシステム
    • Related Report
      2006 Annual Research Report
  • [Book] The Science of Complex Alloy Phases2005

    • Author(s)
      T.Mohri(分担執筆)
    • Publisher
      TMS
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2005 Annual Research Report
  • [Book] Complex Inorganic Solids, -Structural, Stability and Magnetic Properties of Alloys-2005

    • Author(s)
      M.Ohno, T.Mohri(分担執筆)
    • Publisher
      Springer
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary

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Published: 2005-04-01   Modified: 2016-04-21  

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