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First-Principles Study of Thermo-Physical Properties of Pu-Containing Gd(2)Zr(2)O(7)

A density functional theory plus Hubbard U method is used to investigate how the incorporation of Pu waste into Gd(2)Zr(2)O(7) pyrochlore influences its thermo-physical properties. It is found that immobilization of Pu at Gd-site of Gd(2)Zr(2)O(7) has minor effects on the mechanical and thermal prop...

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Detalles Bibliográficos
Autores principales:	Li, Pengcheng, Zhao, Fengai, Xiao, Haiyan, Zhang, Haibin, Gong, Hengfeng, Zhang, Sa, Liu, Zijiang, Zu, Xiaotao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6409597/ https://www.ncbi.nlm.nih.gov/pubmed/30717438 http://dx.doi.org/10.3390/nano9020196

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