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The integration of the phase-field method with CALculation of PHAse Diagrams (CALPHAD) free-energy datasets has significantly improved the prediction of microstructural evolution in practical alloys. We formulated two models to compute interfacial compositions, characterized by their high computational accuracy and efficiency. The inaugural model utilizes convergence calculations to fulfill the equal diffusion potential condition, while the subsequent model obviates the need for such calculations. Despite this, its computational outcomes strongly agree with those of the preceding model. Notably, in these models, the alteration in composition attributable to interfacial curvatures aligns with the Gibbs-Thomson effect within the equilibrium system. In this study, the solidification processes of Ni-Al-Cr and Ag-Cu-Sn alloys serve as case studies to underscore the computational precision and swiftness of the proposed models.

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• In Copyright
  

  ©2024 American Physical Society

Keyword: Phase-field model, CALPHAD

Date published: 2024-06-10

Publisher: American Physical Society (APS)

Journal:

• Physical Review E (ISSN: 24700045) vol. 109 issue. 6 065303

Funding:

• Japan Society for the Promotion of Science 22K04794 (フェーズフィールド法「エコ」ソフトウエアの開発と公開)

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5266

First published URL: https://doi.org/10.1103/physreve.109.065303

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Updated at: 2025-01-10 16:31:40 +0900

Published on MDR: 2025-01-10 16:31:40 +0900