First-Principles Study of Atomic Diffusion by Vacancy Defect of the L1(2)-Al(3)M (M = Sc, Zr, Er, Y) Phase

Atomic diffusion by the vacancy defect of L1(2)-Al(3)M (M = Sc, Zr, Er, Y) was investigated based on a first-principles calculation. The point defect formation energies were firstly evaluated. Then, the migration energy for different diffusion paths was obtained by the climbing-image nudged elastic...

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Detalles Bibliográficos
Autores principales: Liu, Shuai, Liao, Binbin, Nie, Baohua, Fan, Touwen, Chen, Dongchu, Zhang, Jianglong, Song, Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10538205/
https://www.ncbi.nlm.nih.gov/pubmed/37764508
http://dx.doi.org/10.3390/molecules28186727

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10538205/
https://www.ncbi.nlm.nih.gov/pubmed/37764508
http://dx.doi.org/10.3390/molecules28186727

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