EXAFS and Molecular Dynamics combined study of CaO-FeO-2SiO2 glass. New insight into site significance in silicate glasses. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue EPL - Europhysics Letters Année : 2000

EXAFS and Molecular Dynamics combined study of CaO-FeO-2SiO2 glass. New insight into site significance in silicate glasses.

Résumé

A new and coherent view of the local environment of Fe2+ in silicate glasses is derived from a combined study by EXAFS and Molecular Dynamics simulation. Iron is located in distorted sites, whose geometry varies continuously from a tetrahedron to a triangular bipyramid. Iron polyhedra are apex-connected to the silicate network, while edge-linked to each other, matching with a random distribution of iron in the glass. Fe2+ does not have the significance of a network-forming element. Its local structure results from the freezing of dynamical exchange processes occurring in the liquid.
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Dates et versions

hal-00085708 , version 1 (13-07-2006)

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Stéphanie Rossano, A. Ramos, J.-M. Delaye, S. Creux, A. Filipponi, et al.. EXAFS and Molecular Dynamics combined study of CaO-FeO-2SiO2 glass. New insight into site significance in silicate glasses.. EPL - Europhysics Letters, 2000, 49, pp.597-602. ⟨10.1209/epl/i2000-00192-1⟩. ⟨hal-00085708⟩
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