A first-principles-based high fidelity, high throughput approach for the design of high entropy alloys

Here, we present a preselected small set of ordered structures (PSSOS) method, a first principles-based high fidelity (HF), high throughput (HT) approach, for fast screening of the large composition space of high entropy alloys (HEAs) to select the most energetically stable, single-phase HEAs. Takin...

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Detalles Bibliográficos
Autores principales: Sorkin, V., Yu, Z. G., Chen, S., Tan, Teck L., Aitken, Z. H., Zhang, Y. W.
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/PMC9279411/
https://www.ncbi.nlm.nih.gov/pubmed/35831390
http://dx.doi.org/10.1038/s41598-022-16082-w

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