Your browser doesn't support javascript.
loading
Topological Control of Water Reactivity on Glass Surfaces: Evidence of a Chemically Stable Intermediate Phase.
Wilkinson, Collin J; Doss, Karan; Hahn, Seung Ho; Keilbart, Nathan; Potter, Arron R; Smith, Nicholas J; Dabo, Ismaila; van Duin, Adri C T; Kim, Seong H; 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.
  • Hahn SH; Department of Mechanical Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • Keilbart N; Department of Materials Science and Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • Potter AR; Department of Materials Science and Engineering , Rensselaer Polytechnic Institute , Troy , New York 12180 , United States.
  • Smith NJ; Science and Technology Division , Corning Incorporated , Corning , New York 14831 , United States.
  • Dabo I; Materials Research Institute , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • van Duin ACT; Department of Materials Science and Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • Kim SH; Materials Research Institute , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
  • Mauro JC; Department of Materials Science and Engineering , The Pennsylvania State University , University Park , Pennsylvania 16802 , United States.
J Phys Chem Lett ; 10(14): 3955-3960, 2019 Jul 18.
Article en En | MEDLINE | ID: mdl-31241951
Glass surfaces are of considerable interest due to their disproportionately large influence on the performance of glass articles in many applications. However, the behavior of glass surfaces has proven difficult to model and predict due to their complex structure and interactions with the environment. Here, the effects of glass network topology on the surface reactivity of glasses have been investigated using reactive and nonreactive force field-based molecular dynamics simulations as well as density functional theory. A topological constraint-based description for surface reactivity is developed, allowing for improved understanding of the physical and chemical origins of surface reactivity. Results show evidence for the existence of a chemically stable intermediate phase on the surface of the glass where the glass network is mechanically isostatic.
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Phys Chem Lett Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Phys Chem Lett Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos