High-throughput materials screening algorithm based on first-principles density functional theory and artificial neural network for high-entropy alloys

This work introduced the high-throughput phase prediction of PtPd-based high-entropy alloys via the algorithm based on a combined Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) and artificial neural network (ANN) technique. As the first step, the KKR-CPA was employed to generate 2...

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Detalles Bibliográficos
Autores principales: Rittiruam, Meena, Noppakhun, Jakapob, Setasuban, Sorawee, Aumnongpho, Nuttanon, Sriwattana, Attachai, Boonchuay, Suphawich, Saelee, Tinnakorn, Wangphon, Chanthip, Ektarawong, Annop, Chammingkwan, Patchanee, Taniike, Toshiaki, Praserthdam, Supareak, Praserthdam, Piyasan
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/PMC9534987/
https://www.ncbi.nlm.nih.gov/pubmed/36198732
http://dx.doi.org/10.1038/s41598-022-21209-0

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