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Ab initio framework for deciphering trade-off relationships in multi-component alloys

Abstract While first-principles methods have been successfully applied to characterize individual properties of multi-principal element alloys (MPEA), their use in searching for optimal trade-offs between competing properties is hampered by high computational demands. In this work, we present a fram...

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Principais autores: Franco Moitzi, Lorenz Romaner, Andrei V. Ruban, Max Hodapp, Oleg E. Peil
Formato: Artigo
Idioma:Inglês
Publicado: Nature Portfolio 2024-07-01
Series:npj Computational Materials
Acceso en liña:https://doi.org/10.1038/s41524-024-01342-2
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