A machine-learned spin-lattice potential for dynamic simulations of defective magnetic iron

A machine-learned spin-lattice interatomic potential (MSLP) for magnetic iron is developed and applied to mesoscopic scale defects. It is achieved by augmenting a spin-lattice Hamiltonian with a neural network term trained to descriptors representing a mix of local atomic configuration and magnetic...

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Detalles Bibliográficos
Autores principales: Chapman, Jacob B. J., Ma, Pui-Wai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9794737/
https://www.ncbi.nlm.nih.gov/pubmed/36575185
http://dx.doi.org/10.1038/s41598-022-25682-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9794737/
https://www.ncbi.nlm.nih.gov/pubmed/36575185
http://dx.doi.org/10.1038/s41598-022-25682-5

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