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Understanding the Stability of Salt-Inclusion Phases for Nuclear Waste-forms through Volume-based Thermodynamics

Formation enthalpies and Gibbs energies of actinide and rare-earth containing SIMs with silicate and germanate frameworks are reported. Volume-based thermodynamics (VBT) techniques complemented by density functional theory (DFT) were adapted and applied to these complex structures. VBT and DFT resul...

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Detalles Bibliográficos
Autores principales:	Moore, Emily E., Kocevski, Vancho, Juillerat, Christian A., Morrison, Gregory, Zhao, Mingyang, Brinkman, Kyle S., Loye, Hans-Conrad zur, Besmann, Theodore M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6193005/ https://www.ncbi.nlm.nih.gov/pubmed/30333564 http://dx.doi.org/10.1038/s41598-018-32903-3

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