| 1. |
- Arapan, S., et al.
(författare)
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Influence of antiphase boundary of the MnAl tau-phase on the energy product
- 2019
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Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 3:6
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Tidskriftsartikel (refereegranskat)abstract
- In this paper, we use a multiscale approach to describe a realistic model of a permanent magnet based on MnAl tau-phase and elucidate how the antiphase boundary defects present in this material affect the energy product. We show how the extrinsic properties of a microstructure depend on the intrinsic properties of a structure with defects by performing micromagnetic simulations. For an accurate estimation of the energy product of a realistic permanent magnet based on the MnAl tau-phase with antiphase boundaries, we quantify exchange interaction strength across the antiphase boundary defect with a simple approach derived from first-principles calculations. These two types of calculations, performed at different scales, are linked via atomistic spin-dynamics simulations.
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| 2. |
- Nieves, P., et al.
(författare)
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Database of novel magnetic materials for high-performance permanent magnet development
- 2019
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Ingår i: Computational materials science. - : Elsevier. - 0927-0256 .- 1879-0801. ; 168, s. 188-202
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Tidskriftsartikel (refereegranskat)abstract
- This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. Its main features as software technologies, friendly graphical user interface, advanced search mode, plotting tool and available data are explained in detail. Following the philosophy and standards of Materials Genome Initiative, it contains significant results of novel magnetic phases with high magnetocrystalline anisotropy obtained by three computational high-throughput screening approaches based on a crystal structure prediction method using an Adaptive Genetic Algorithm, tetragonally distortion of cubic phases and tuning known phases by doping. Additionally, it also includes theoretical and experimental data about fundamental magnetic material properties such as magnetic moments, magnetocrystalline anisotropy energy, exchange parameters, Curie temperature, domain wall width, exchange stiffness, coercivity and maximum energy product, that can be used in the study and design of new promising high-performance Rare-Earth free/lean permanent magnets. The results therein contained might provide some insights into the ongoing debate about the theoretical performance limits beyond Rare-Earth based magnets. Finally, some general strategies are discussed to design possible experimental routes for exploring most promising theoretical novel materials found in the database.
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