2026-04-19T22:49:28Zhttps://riubu.ubu.es/oai/request
oai:riubu.ubu.es:10259/57832024-07-25T07:31:24Zcom_10259_9476com_10259.4_106com_10259_2604col_10259_9477
Nieves Cordones, Pablo 392 500 0000-0002-6633-9643 Arapan, Sergiu 33 500 Maudes Raedo, Jesús M. 352 500 0000-0001-8808-412X Marticorena Sánchez, Raúl 338 500 0000-0002-2633-635X Brío, N.L. del ba2975a1-2e01-49a9-b3ce-7e7effd372c7 500 Kovacs, A. 5f7f2fbb-3e80-4958-88a3-c38597a56b76 500 Echevarria Bonet, C. c94b6dc7-a1b1-43fd-9ecb-a64edadedd37 500 Salazar, D. e95319f0-8d05-49fa-a826-7095d2331449 500 Weischenberg, J. 9b9eb8c8-9572-47b2-a7aa-0961ffa5eb5f 500 Zhang, H. 1a6d23f1-1a9b-4a7e-9dc4-4c0bc026d04c 500 Vekilova, O.Yu. a8ef61b2-6321-44db-8bff-382a55530662 500 Serrano López, Roberto 538 500 0000-0002-7156-4693 Barandiaran, J.M. 04ecf1dd-a101-478a-946b-7fe0e721da27 500 Skokov, Konstantin eaca7f4e-ec2e-4600-8e57-16108abe45eb 500 Gutfleisch, O. d7a905c0-cf9a-4587-ad33-ab2f882581a6 500 Eriksson, O. a9d56796-2c7e-4ed9-9c20-238cac448dc4 500 Herper, H.C. cb4d880d-0429-4e52-9cec-7d9b1c224089 500 Schrefl, T. 7c6433aa-24f9-4f94-b086-4ebfa257de36 500 Cuesta López, Santiago 133 500 0000-0002-7401-3889 2021-05-25T08:16:59Z 2021-05-25T08:16:59Z 2019-10 0927-0256 http://hdl.handle.net/10259/5783 10.1016/j.commatsci.2019.06.007 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. European Horizon 2020 Framework Programme for Research and Innovation (2014-2020) under Grant Agreement No. 686056, NOVAMAG. European Regional Development Fund in the IT4Innovations national supercomputing center – path to exascale project, project number CZ 02.1.01/0.0/0.0/16–013/0001791 within the Operational Programme Research, Development and Education application/pdf eng Elsevier Computational Materials Science. 2019, V. 168, p. 188-202 https://doi.org/10.1016/j.commatsci.2019.06.007 info:eu-repo/grantAgreement/EC/H2020/686056 info:eu-repo/grantAgreement/UE/CZ 02.1.01/0.0/0.0/16–013/0001791 Database Magnetic materials Permanent magnets Materials Genome Initiative High-throughput VASP Computer simulation Novamag Materiales Informática Materials Computer science Database of novel magnetic materials for high-performance permanent magnet development info:eu-repo/semantics/article info:eu-repo/semantics/submittedVersion info:eu-repo/semantics/openAccess Computational Materials Science 168 188 202 THUMBNAIL Nieves-cms_2019.pdf.jpg Nieves-cms_2019.pdf.jpg IM Thumbnail image/jpeg 3601 https://riubu.ubu.es/bitstream/10259/5783/3/Nieves-cms_2019.pdf.jpg 050b6a4f3b604978a25e7960969bf95c MD5 3 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/5783/2/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 2 ORIGINAL Nieves-cms_2019.pdf Nieves-cms_2019.pdf application/pdf 5534376 https://riubu.ubu.es/bitstream/10259/5783/1/Nieves-cms_2019.pdf 942c3c41005abaaecbd11cbf0a925ad9 MD5 1 10259/5783 oai:riubu.ubu.es:10259/5783 2024-07-25 09:31:24.218 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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