Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe–Al
Abstract We propose a machine-learning interatomic potential for multi-component magnetic materials. In this potential we consider magnetic moments as degrees of freedom (features) along with atomic positions, atomic types, and lattice vectors. We create a training set with constrained DFT (cDFT) th...
Wedi'i Gadw mewn:
| Prif Awduron: | , , , , , |
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| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
Nature Portfolio
2023-11-01
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| Cyfres: | Scientific Reports |
| Mynediad Ar-lein: | https://doi.org/10.1038/s41598-023-46951-x |
| Tagiau: |
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