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Liquid Aluminum: Atomic diffusion and viscosity from ab initio molecular dynamics

We present a study of dynamic properties of liquid aluminum using density-functional theory within the local-density (LDA) and generalized gradient (GGA) approximations. We determine the temperature dependence of the self-diffusion coefficient as well the viscosity using direct methods. Comparisons...

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Detalles Bibliográficos
Autores principales:	Jakse, Noel, Pasturel, Alain
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3817448/ https://www.ncbi.nlm.nih.gov/pubmed/24190311 http://dx.doi.org/10.1038/srep03135

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