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Statistics of silicate units in binary glasses.
Gaddam, Anuraag; Montagne, Lionel; Ferreira, José M F.
Afiliação
  • Gaddam A; Department of Materials and Ceramics Engineering, CICECO, University of Aveiro, 3810-193 Aveiro, Portugal.
  • Montagne L; Université Lille, CNRS, Centrale Lille, ENSCL, Université Artois, UMR 8181, UCCS-Unité de Catalyse et Chimie du Solide, F-59000 Lille, France.
  • Ferreira JM; Department of Materials and Ceramics Engineering, CICECO, University of Aveiro, 3810-193 Aveiro, Portugal.
J Chem Phys ; 145(12): 124505, 2016 Sep 28.
Article em En | MEDLINE | ID: mdl-27782621
In this paper, we derive a new model to determine the distribution of silicate units in binary glasses (or liquids). The model is based on statistical mechanics and assumes grand canonical ensemble of silicate units which exchange energy and network modifiers from the reservoir. This model complements experimental techniques, which measure short range order in glasses such as nuclear magnetic resonance (NMR) spectroscopy. The model has potential in calculating the amounts of liquid-liquid phase segregation and crystal nucleation, and it can be easily extended to more complicated compositions. The structural relaxation of the glass as probed by NMR spectroscopy is also reported, where the model could find its usefulness.
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Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article
Buscar no Google
Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article