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Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets

TitleCluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets
Publication TypeJournal Article
Year of Publication2017
AuthorsNguyen, MC, Zhou, L, Tang, W, Kramer, MJ, Anderson, IE, Wang, CZ, Ho, KM
JournalPhysical Review Applied
Date Published11
Type of ArticleArticle
ISBN Number2331-7019
Accession NumberWOS:000414667100003
Keywordsal system, augmented-wave method, phase, physics

An accurate and transferable cluster-expansion model for complex quinary alloys is developed. Lattice Monte Carlo simulation enabled by this cluster-expansion model is used to investigate temperature-dependent atomic structure of alnico alloys, which are considered as promising high-performance non-rare-earth permanent-magnet materials for high-temperature applications. The results of the Monte Carlo simulations are consistent with available experimental data and provide useful insights into phase decomposition, selection, and chemical ordering in alnico. The simulations also reveal a previously unrecognized D0(3) alloy phase. This phase is very rich in Ni and exhibits very weak magnetization. Manipulating the size and location of this phase provides a possible route to improve the magnetic properties of alnico, especially coercivity.

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