Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/5783
Título
Database of novel magnetic materials for high-performance permanent magnet development
Autor
Publicado en
Computational Materials Science. 2019, V. 168, p. 188-202
Editorial
Elsevier
Fecha de publicación
2019-10
ISSN
0927-0256
DOI
10.1016/j.commatsci.2019.06.007
Zusammenfassung
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.
Palabras clave
Database
Magnetic materials
Permanent magnets
Materials Genome Initiative
High-throughput
VASP
Computer simulation
Novamag
Materia
Materiales
Materials
Informática
Computer science
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