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Development of Thermodynamic Model on Phase Diagram Database

Research Project

Project/Area Number 11694124
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Structural/Functional materials
Research InstitutionTohoku University

Principal Investigator

ISHIDA Kiyohito  Tohoku Univ., NICHe, Professor, 未来科学技術共同研究センター, 教授 (20151368)

Co-Investigator(Kenkyū-buntansha) OHNUMA Ikuo  Tohoku Univ., Grad. Sch. of Eng., Research Assoc., 大学院・工学研究科, 助手 (20250714)
KAINUMA Ryosuke  Tohoku Univ., Grad. Sch. of Eng., Assoc. Prof., 大学院・工学研究科, 助教授 (20202004)
OHTANI Hiroshi  Tohoku Univ., CIR, Assoc. Prof., 学際科学研究センター, 助教授 (70176923)
Project Period (FY) 1999 – 2001
Project Status Completed (Fiscal Year 2001)
Budget Amount *help
¥6,400,000 (Direct Cost: ¥6,400,000)
Fiscal Year 2001: ¥1,900,000 (Direct Cost: ¥1,900,000)
Fiscal Year 2000: ¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1999: ¥2,400,000 (Direct Cost: ¥2,400,000)
KeywordsOrder-disorder phenomena / Phase Diagram / Thermodynamic database / CALPHAD / Phase Equilibria / Magnetic transformation / International exchange / Sweden / BWG理論 / 相変態
Research Abstract

It is well known that magnetic properties such as the Curie temperature and the mean magnetic moment of ordered compounds have different values from those of disordered solutions. In consequence, the stability of the ordered phase is depressed (enhanced) due to the interaction between the chemical and magnetic ordering caused by the decrease (increase) of magnetic properties. In this project, a new thermodynamic model taking into account the interaction effect was developed by the collaboration with prof. Bo Sundman in the Royal Institute of Technology, Sweden. Model calculations to describe the phase stability of the b.c.c. and f.c.c. structures were performed taking into account the magnetic and the chemical ordering reactions and also the mutual interaction between them. Thermodynamic assessments of the Fe-X (X=A1, Ni and Co) systems were also carried out using two- or four-sublattice s-CEF, including the interaction effect. These calculations lead to the following conclusions.
(1) The incomprehensible A2+B2 phase separation and tricritical point in the Fe-Al system originate in the depressed chemical and magnetic ordering energies caused by the mutual interaction.
(2) The stability of both γ'-FeNi_3 (L1_2) and γ"-FeNi (L1_0) compounds is strongly enhanced by the additional magnetic energy due to the chemical ordering. The calculated phase diagram suggests that the γ"-FeNi (L1_0) phase is stable.
(3) In the Fe-Co system, the stability of the B2 ordering arises mostly from the enhanced magnetic energy due to the chemical ordering.

Report

(4 results)
  • 2001 Annual Research Report   Final Research Report Summary
  • 2000 Annual Research Report
  • 1999 Annual Research Report
  • Research Products

    (24 results)

All Other

All Publications (24 results)

  • [Publications] I.Ohnuma: "Phase Equilibria in the Ti-Al Binary System"Acta Materialia. 48. 3113-3123 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] R.Kainuma: "Phase Equilibria among α(hcp),β(bcc) and γ(L10) Phases in the Ti-Al Base Ternary Alloys"Intermetallics. 8. 855-867 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] R.Kainuma: "Stability of B2 Ordered Phase in the Ti-rich Portion of Ti-Al-Cr and Ti-Al-Fe Ternary System"Intermetallics. 8. 869-875 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] O.Ikeda: "Phase Equilibria and Stability of Ordered BCC Phases in the Fe-rich Portion of the Fe-Al System"Intermetallics. 9. 755-761 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] I.Ohnuma: "Phase Equilibria in the Fe-Co Binary System"Acta Materialia. 50. 379-393 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] K.Ishikawa: "Phase Stability of the X_2AlTi (X : Fe, Co, Ni and Cu) Heusler and B2-type Intermetallic Compounds"Acta Materialia. 50(印刷中). (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] P.E.A.Turchi他編: "CALPAHD and Alloy Thermodynamics"TMS. 281 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] I. Ohnuma: "Phase Equilibria in the Ti-Al Binary System"Acta Materialia. 48. 3113-3123 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] R. Kainuma: "Phase Equilibria Among α(hcp), β(bcc), and γ(L1_0) Phases in Ti-Al Base Ternary Alloys"Intermetallics. 8. 855-867 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] R. Kainuma: "Stability of B2 Ordered Phase in the Ti-rich Portion of Ti-Al-Cr and Ti-Al Fe Ternary Systems"Intermetallics. 8. 869-875 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] O. Ikeda: "Phase Equilibria and Stability of Ordered BCC Phases in the Fe-rich Portion of the Fe-Al System"Intermetallics. 9. 755-761 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] I. Ohnuma: "Phase Equilibria in the Fe-Co Binary System"Acta Materiaiia. 50. 379-393 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] K. Ishikawa: "Phase Stability of the X_2AlTi (X: Fe, Co, Ni and Cu) Heusler and B2-Type Intermetallic Compounds"Acta Materiaiia. 50(in press). (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] I. Ohnuma: "Effect of the Interaction between the Chemical and the Magnetic Ordering on the Phase Equilibria of Iron-base Alloys"P.E.A. Turchi, A. Gonis and R.D. Shull eds., "CALPHAD and Alloy Termodynamics.", TMS , Warrendale. 61-78 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] O.Ikeda: "Phase Equilibria and Stability of Ordered BCC Phases in the Fe-rich Portion of the Fe-Al System"Intermetallics. 9. 755-761 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] I.Ohnuma: "Phase Equilibria in the Fe-Co Binary System"Acta Materialia. 50. 379-393 (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] K.Ishikawa: "Phase Stability of the X_2AlTi(X : Fe, Co, Ni and Cu) Heusler and B2-type Intermetallic Compounds"Acta Materialia. 50(印刷中). (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] E.A.Patrice 他編: "CALPAHD and Alloy Thermodynamics"TMS. 281 (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] R.Kainuma: "Phase Equilibria Among α(hcp), β(bcc), and γ(Ll_0) Phases in Ti-Al Base Ternary Alloys"Intermetallics. 8. 855-868 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] R.Kainuma: "Stability of B2 Ordered Phase in the Ti-rich Portion of Ti-Al-Cr and Ti-Al-Fe Ternary Systems"Intermetallics. 8. 869-876 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] I.Ohnuma: "Phase Equilibria in the Ti-Al Binary System"Acta Materialia. 48. 3113-3123 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] I.Ohnuma: "Phase Equilibria of the Fe-Co Binary System"Acta Materialia . (発表予定).

    • Related Report
      2000 Annual Research Report
  • [Publications] R.Kainuma: "Phase Equilibria and B2 Phase Stability in the Ti-rich Portion of the Ti-Al-Cr and Ti-Al-Fe Ternary Systems"Internatallics. (発表予定).

    • Related Report
      1999 Annual Research Report
  • [Publications] I.Ohnuma: "Phase Equilibria in the Ti-Al Binary System"Acta Materialia. (発表予定).

    • Related Report
      1999 Annual Research Report

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Published: 1999-04-01   Modified: 2016-04-21  

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