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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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Detalhes bibliográficos
Main Authors: Jakse, Noel, Pasturel, Alain
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3817448/
https://ncbi.nlm.nih.gov/pubmed/24190311
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep03135
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