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Accelerated crystal structure prediction of multi-elements random alloy using expandable features

Properties of solid-state materials depend on their crystal structures. In solid solution high entropy alloy (HEA), its mechanical properties such as strength and ductility depend on its phase. Therefore, the crystal structure prediction should be preceded to find new functional materials. Recently,...

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Detalles Bibliográficos
Autores principales: Jin, Taewon, Park, Ina, Park, Taesu, Park, Jaesik, Shim, Ji Hoon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7933338/
https://www.ncbi.nlm.nih.gov/pubmed/33664341
http://dx.doi.org/10.1038/s41598-021-84544-8