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説明:

To predict the microstructures of steels, direct coupling of phase-field method and Calculation of Phase Diagrams (CALPHAD) databases is desirable. However, such direct coupling is challenging even for the binary Fe-C system. The first difficulty is that the local equilibrium condition becomes an implicit function, resulting in extremely high computational costs. The second difficulty is that the relationship between phase composition used in phase-field method and site fraction employed in CALPHAD method is nonlinear. In this study, a phase-field model for the Fe-C system is developed by combining Direct CALPHAD Coupling (DCC) model, which explicitly solves the local equilibrium condition, with a chain-rule formulation that links phase composition to site fractions. Numerical tests for phase solidification and phase peritectic transformation demonstrated that the proposed model satisfies the local equilibrium condition with errors small enough to have no impact on the simulation results and accurately reproduces phase diagram at equilibrium condition. The developed approach provides a framework for simulating microstructure evolution directly coupled with CALPHAD database for steels containing interstitial elements such as carbon and nitrogen.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: phase field, CALPHAD, Fe–C, interstitial elements

刊行年月日: 2026-04-15

出版者: Iron and Steel Institute of Japan

掲載誌:

• Tetsu-to-Hagane (ISSN: 00211575) vol. 112 issue. 6 TETSU-2025-086

研究助成金:

• JST JPMJAX25DK (JST創発的研究支援事業 ACT-X「多元系実用材料における組織発展予測手法の確立」)
• 日本学術振興会 22K04794 (日本学術振興会 科学研究費助成事業「フェーズフィールド法「エコ」ソフトウエアの開発と公開研究課題」)
• 株式会社Niterra Materials

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.2355/tetsutohagane.tetsu-2025-086

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更新時刻: 2026-04-23 15:00:40 +0900

MDRでの公開時刻: 2026-04-23 18:25:41 +0900