状態図計算法の最近の動向と今後の展望

  • 徳永 辰也
    九州工業大学 工学研究院先端機能システム工学研究
  • 飯久保 智
    九州工業大学 生命体工学研究科生体機能
  • 大谷 博司
    九州工業大学 工学研究院物質工学研究

書誌事項

タイトル別名
  • Recent Trends and Future Perspectives of Phase Diagram Calculations
  • ジョウタイズ ケイサンホウ ノ サイキン ノ ドウコウ ト コンゴ ノ テンボウ

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抄録

The CALPHAD (Calculations of Phase Diagrams) method has succeeded in obtaining multicomponent phase diagrams for technological applications in the last few decades. However, this approach is faced with some difficulties in calculating phase equilibria in the metastable region and thermodynamic properties of metastable phases, those are usually not accessible experimentally. Within the same time frame, first-principles calculations based on the electron theory have progressed extensively and have interacted with the CALPHAD method. In this paper, after a brief overview of the history and the basics of the CALPHAD method, we present our recent research results on the calculations of thermodynamic properties such as enthalpy of formation at finite temperatures using electron theory as well as lattice vibration and cluster expansion method, with special emphasis on making use of these theoretical values in the CALPHAD description of thermodynamic properties of alloys.

収録刊行物

  • 資源と素材

    資源と素材 127 (8), 473-478, 2011

    一般社団法人 資源・素材学会

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