RT info:eu-repo/semantics/conferenceObject T1 An adaptive genetic algorithm approach for predicting magnet-ic structure suitable for high-performance permanent magnet development A1 Nieves Cordones, Pablo A1 Arapan, Sergiu A1 Cuesta López, Santiago K1 Crystals K1 Saturation magnetization K1 Permanent magnets K1 Optimization K1 Enthalpy K1 Magnetic analysis K1 Compounds K1 Física K1 Physics AB Summary form only given. In this work, we present a general overview, analysis and software implementation of a particular AGA, which has been proposed for discovering new RE-free magnetic crystal phases in the context of the EU-H2020 NOVAMAG project. The workflow diagram related to the Modelling Data Elements (MODA) of the magnetic crystal structure calculation based on AGA was shown. In particular, we make use of an AGA, implemented through USPEX and VASP codes, to predict new magnetic crystal phases, where those structures with better magnetic properties for a permanent magnet are selected and analyzed in more detail. Such a methodology has been preliminary compared to well-known experimentally reported properties compounds, showing an excellent agreement. In addition, we show recent results predicted by AGA in CoFe 2n X (n=1,2,3,4,5; where X=C, P, Hf, Zr, ...), where we found compounds with many metastable structures which fulfill the initial requirements (negative enthalpy of formation ΔHF<;0, high saturation magnetization μ 0 M S >1T and non-cubic lattice system) for permanent magnet development. PB IEEE SN 2150-4601 YR 2017 FD 2017-08 LK http://hdl.handle.net/10259/5723 UL http://hdl.handle.net/10259/5723 LA eng NO Trabajo presentado en: International Conference on Magnetics (INTERMAG), 2017 NO NOVAMAG project, under Grant Agreement No. 686056, EU Horizon 2020 Framework Programme for Research and Innovation (2014-2020). Authors also acknowledge the Spanish Supercomputing Network (RES) and CESVIMA for providing supercomputational resources under Ref: QCM-2016-2-0034. DS Repositorio Institucional de la Universidad de Burgos RD 28-mar-2024