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Vacancy Energetics and Diffusivities in the Equiatomic Multielement Nb-Mo-Ta-W Alloy

In this work, we study vacancy energetics in the equiatomic Nb-Mo-Ta-W alloy, especially vacancy formation and migration energies, using molecular statics calculations based on a spectral neighbor analysis potential specifically developed for Nb-Mo-Ta-W. We consider vacancy properties in bulk enviro...

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Detalles Bibliográficos
Autores principales: Zhou, Xinran, He, Sicong, Marian, Jaime
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9369633/
https://www.ncbi.nlm.nih.gov/pubmed/35955403
http://dx.doi.org/10.3390/ma15155468