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Thermodynamic analysis of the compounds in heat resistant steels based on the CALPHAD method

Research Project

Project/Area Number 23560850
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Structural/Functional materials
Research InstitutionNational Institute for Materials Science

Principal Investigator

ABE Taichi  独立行政法人物質・材料研究機構, 先進高温材料ユニット, 主幹研究員 (50354155)

Project Period (FY) 2011 – 2013
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2011: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Keywordsカルファド法 / 耐熱鋼 / 複合窒化物 / 計算状態図
Research Abstract

The Gibbs energy functions of the phases in the high-Cr ferritic steels have been assessed thermodynamically using the CALPHAD method. Formation enthalpy of the MX and Z phases at the ground state were estimated from ab initio calculations in various combinations of transition elements from 3a to 3b groups. Of the combinations, the Z phase with Ta-, Sc-, V- group elements exhibited very low formation enthalpy. This suggests that they are significantly stable; thus these Z phases can be used as a strengthening factor of the high-Cr ferritic steels instead of the fine dispersed MX phases. The calculated phase equilibria are in good agreement with experimental data of the commercial ally (T91). The assessed Gibbs energy functions of the phases have been opened for public through the website named "NIMS thermodynamic database". From the website, the database files can be downloaded and reproduce the present results.

Report

(4 results)
  • 2013 Annual Research Report   Final Research Report ( PDF )
  • 2012 Research-status Report
  • 2011 Research-status Report
  • Research Products

    (15 results)

All 2014 2013 2012 Other

All Journal Article (4 results) (of which Peer Reviewed: 2 results) Presentation (7 results) Remarks (4 results)

  • [Journal Article] CALPHAD法における異なる副格子モデル間のパラメーター変換2014

    • Author(s)
      阿部太一、橋本清
    • Journal Title

      日本金属学会誌

      Volume: 78巻

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] A description of the effect of short-range ordering in BCC phases with four sublattices2014

    • Author(s)
      T. Abe, M. Shimono
    • Journal Title

      Calphad-Comput. Coupling Ph. Diagrams Thermochem, Reviewed

      Volume: Vol.45 Pages: 40-48

    • DOI

      10.1016/j.calphad.2013.11.006

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Journal Article] Improvements in the thermodynamic descriptions of the Fe-based systems2013

    • Author(s)
      T.Abe, K.Hashimoto, Y.Sawada, C.Kocer, K.Shobu, M.Palumbo, S.G.Fries, M.Shimono, K.Tsuzaki
    • Journal Title

      Proceedings of the 3rd International symposium on steel science, Reviewed

      Volume: Vol.3 Pages: 239-242

    • Related Report
      2013 Final Research Report
  • [Journal Article] Improvements in the thermodynamic descriptions of the Fe-based systems2012

    • Author(s)
      T.Abe, K.Hashimoto, Y.Sawada, C.Kocer, M.Palumbo, S.G.Fires, M.Shimono, K.Tsuzaki
    • Journal Title

      Proceedings of the 3rd Intl. symp. on steel science

      Volume: 1 Pages: 239-242

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] 侵入型副固溶体における副格子変換2014

    • Author(s)
      阿部太一、橋本清、佐原亮二、C.Kocer
    • Organizer
      学振第172委員会第27回研究会
    • Place of Presentation
      東京
    • Year and Date
      2014-05-22
    • Related Report
      2013 Final Research Report
  • [Presentation] 侵入型固溶体における副格子変換2014

    • Author(s)
      阿部太一、橋本清、佐原亮二、Cenk KOCER
    • Organizer
      学振第172委員会第27回研究会
    • Place of Presentation
      東京
    • Related Report
      2013 Annual Research Report
  • [Presentation] NIMS thermodynamic database of the Fe-based systems2012

    • Author(s)
      T.Abe, K.Hashimoto, Y.Sawada, C.Kocer, M.Palumbo, S.G.Fries, M.Shimono, K.Tsuzaki
    • Organizer
      NIMS conference
    • Place of Presentation
      Tsukuba
    • Related Report
      2013 Final Research Report
  • [Presentation] Improvements in the thermodynamic descriptions of the Fe-based systems2012

    • Author(s)
      T.Abe, K.Hashimoto, Y.Sawada, C.Kocer, K.Shobu, M.Palumbo, S.G.Fries, M.Shimono, K.Tsuzaki
    • Organizer
      The 3rd International Symposium on Steel Science (ISSS2012)
    • Place of Presentation
      Kyoto
    • Related Report
      2013 Final Research Report
  • [Presentation] M_6C炭化物の熱力学解析2012

    • Author(s)
      阿部太一、C.Kocer、片岡公太、津崎兼彰
    • Organizer
      日本金属学会講演大会
    • Place of Presentation
      東京
    • Related Report
      2013 Final Research Report
  • [Presentation] Improvements in the thermodynamic descriptions of the Fe-based systems2012

    • Author(s)
      T.Abe, K.Hashimoto, Y.Sawada, C.Kocer, M.Palumbo, S.G.Fires, M.Shimono, K.Tsuzaki
    • Organizer
      The 3rd Intl. symposium on steel science
    • Place of Presentation
      Kansai seminar house
    • Related Report
      2012 Research-status Report
  • [Presentation] NIMS thermodynamic database of the Fe-based systems2012

    • Author(s)
      T.Abe, K.Hashimoto, Y.Sawada, C.Kocer, M.Palumbo, S.G.Fries, M.Shimono, K.Tsuzaki
    • Organizer
      NIMS Conference 2012
    • Place of Presentation
      Tsukuba Epocal
    • Related Report
      2012 Research-status Report
  • [Remarks] NIMS熱力学データベース

    • URL

      http://www.nims.go.jp/cmsc/pst/database/periodic.htm

    • Related Report
      2013 Final Research Report
  • [Remarks] 阿部太一、橋本清、Open-Calphadソフトウェアユーザーマニュアル、2014.

    • URL

      http://www.nims.go.jp/cmsc/pst/database/OpenCalphad/opencalphad.htm

    • Related Report
      2013 Final Research Report
  • [Remarks] NIMS thermodynamic database

    • Related Report
      2013 Annual Research Report
  • [Remarks] Open-Calphadユーザーズマニュアル

    • Related Report
      2013 Annual Research Report

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Published: 2011-08-05   Modified: 2019-07-29  

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