[HTML][HTML] Stable and metastable rare-earth-free permanent magnets from a database of predicted crystal structures

A Vishina, O Eriksson, HC Herper - Acta Materialia, 2023 - Elsevier
With the recent developments in crystal structure prediction, databases of new (not
previously synthesized) materials are being created. One of these databases contains more …

Prediction of NdFe16-based permanent-magnet compounds with high magnetization

I Seo, S Tanaka, M Endo, Y Gohda - Applied Physics Express, 2024 - iopscience.iop.org
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 …

MagGen: A Graph-Aided Deep Generative Model for Inverse Design of Permanent Magnets

S Mal, G Seal, P Sen - The Journal of Physical Chemistry Letters, 2024 - ACS Publications
A deep generative model based on a variational autoencoder (VAE), conditioned
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 …

[引用][C] Preprint not peer reviewed