[HTML][HTML] Stable and metastable rare-earth-free permanent magnets from a database of predicted crystal structures
With the recent developments in crystal structure prediction, databases of new (not
previously synthesized) materials are being created. One of these databases contains more …
previously synthesized) materials are being created. One of these databases contains more …
Prediction of NdFe16-based permanent-magnet compounds with high magnetization
We find a candidate for new permanent-magnet materials with the 1–16 stoichiometry on the
basis of first-principles calculations utilizing a materials database. An extremely iron-rich …
basis of first-principles calculations utilizing a materials database. An extremely iron-rich …
MagGen: A Graph-Aided Deep Generative Model for Inverse Design of Permanent Magnets
A deep generative model based on a variational autoencoder (VAE), conditioned
simultaneously by two target properties, is developed to inverse design stable magnetic …
simultaneously by two target properties, is developed to inverse design stable magnetic …
Exploring magnetocaloric materials by ab-initio methods
R Martinho Vieira - 2024 - doria.fi
This thesis explores the characterization of magnetocaloric materials from first-principles
calculations, emphasizing entropy variation associated with the magnetocaloric effect. The …
calculations, emphasizing entropy variation associated with the magnetocaloric effect. The …