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By examining Gibbs free energies for various phases, phase equilibria of the Sm-Fe-Cu ternary system are examined computationally to explore grain-boundary subphases of SmFe12-based rare-earth permanent magnets that are under development. A key quantity, the mixing enthalpy is examined from first principles. We show that the B2 Sm-Cu-Fe is a candidate for the subphase, where the solubility of Fe into Sm-Cu is better described by the cluster-expansion method finding attractive Cu-Fe interaction within the B2 sublattice. In addition, it is found that the liquid phase of Sm-Cu slightly including Fe directly equilibrates with SmFe12, which is consistent with experiments. We point out the possibility of liquid-phase sintering of the SmFe12-based magnets using this liquid phase without significant composition changes by the solidification.

権利情報:

• In Copyright
  

キーワード: Phase stability, CALHPAD, Ab initio calculations

刊行年月日: 2023-04-11

出版者: Elsevier BV

掲載誌:

• JOURNAL OF ALLOYS AND COMPOUNDS (ISSN: 09258388) vol. 950 169849

研究助成金:

原稿種別: 著者最終稿 (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.4886

公開URL: https://doi.org/10.1016/j.jallcom.2023.169849

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更新時刻: 2025-04-16 08:30:24 +0900

MDRでの公開時刻: 2025-04-15 17:06:17 +0900