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Predicting Ionic Diffusion in Glass from Its Relaxation Behavior.
Wilkinson, Collin J; Doss, Karan; Cassar, Daniel R; Welch, Rebecca S; Bragatto, Caio B; Mauro, John C.
Afiliación
  • Wilkinson CJ; Department of Materials Science and Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • Doss K; Department of Materials Science and Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • Cassar DR; Department of Materials Engineering, CeRTEV , Federal University of Sao Carlos , Sao Carlos , Sao Paulo 13565-905 , Brazil.
  • Welch RS; Department of Physics , Coe College , Cedar Rapids , Iowa 52402 , United States.
  • Bragatto CB; Department of Physics , Coe College , Cedar Rapids , Iowa 52402 , United States.
  • Mauro JC; Department of Materials Science and Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
J Phys Chem B ; 124(6): 1099-1103, 2020 Feb 13.
Article en En | MEDLINE | ID: mdl-31955573
In low-viscosity liquids, diffusion is inversely related to viscosity via the Stokes-Einstein relation. However, the Stokes-Einstein relation breaks down near the glass transition as the supercooled liquid transitions into the non-ergodic glassy state. The nonequilibrium viscosity of glass is governed by the liquid-state viscous properties, namely, the glass transition temperature and the fragility. Here, a model is derived to predict the ionic diffusivity of a glass from its nonequilibrium viscosity, accounting for the compositional dependence of the glass. The free energy activation barrier for diffusion is related to the activation enthalpy for viscous flow using the Mauro-Allan-Potuzak model of nonequilibrium viscosity [Mauro, J. C.; Allan, D. C.; Potuzak, M. Nonequilibrium Viscosity of Glass. Phys. Rev. B 2009, 80, 094204]. These insights allow for accurate prediction of activation barriers for diffusion of alkali ions. The model is supported by experimental results and nudged-elastic band calculations applied to sodium silicate and borate glasses.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos