Computational phase diagrams for the Nd-based magnets based on the combined ab initio/CALPHAD approach

Taichi Abe, Ying Chen, Arkapol Saengdeejimg, Yoshinao Kobayashi

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Sintered magnets hold a high amount of oxygen because of the strong affinity of oxygen with lanthanide elements, where oxygen forms variety of stable and metastable oxide phases. In order to control microstructures, which can affect magnetic properties, it is important to understand how oxygen behaves during the fabrication processes. A combined ab initio/CALPHAD approach was employed to estimate the phase equilibria with oxygen in microstructures of the magnets. It is demonstrated that this approach is efficient for systems in which available experimental and theoretical thermodynamic information is limited.

Original languageEnglish
Pages (from-to)305-310
Number of pages6
JournalScripta Materialia
Volume154
DOIs
Publication statusPublished - 2018 Sep

Keywords

  • Cluster expansion method
  • Gibbs energy
  • Metastable states
  • Thermodynamic database

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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