Point Defects Stability, Hydrogen Diffusion, Electronic Structure, and Mechanical Properties of Defected Equiatomic γ(U,Zr) from First-Principles

At present, many experimental fast reactors have adopted alloy nuclear fuels, for example, U-Zr alloy fuels. During the neutron irradiation process, vacancies and hydrogen (H) impurity atoms can both exist in U-Zr alloy fuels. Here, first-principles density functional theory (DFT) is employed to stu...

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Detalles Bibliográficos
Autores principales: Huang, Shasha, Ma, Jiang-Jiang, Lai, Kan, Zhang, Cheng-Bin, Yin, Wen, Qiu, Ruizhi, Zhang, Ping, Wang, Bao-Tian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9656540/
https://www.ncbi.nlm.nih.gov/pubmed/36363044
http://dx.doi.org/10.3390/ma15217452

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