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Statut |
Confirmé |
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Série |
SEM-BESSON |
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Domaines |
cond-mat |
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Date |
Vendredi 27 Janvier 2012 |
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Heure |
11:00 |
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Institut |
IMPMC |
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Salle |
salle 1 coul 22-23, 4eme étage, IMPMC,UPMC, 4, Place Jussieu, Paris 75005 |
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Nom de l'orateur |
Mountjoy |
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Prenom de l'orateur |
Gavin |
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Addresse email de l'orateur |
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Institution de l'orateur |
School of Physical Sciences, University of Kent, Canterbury |
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Titre |
Molecular dynamics modelling of non-network oxygens in MgO-SiO2 glasses |
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Résumé |
Although Mg is not a major component of commercial silicate glasses, the role of Mg in silicate melts is important in mineralogy, and studies of magnesium silicate glasses are a key source of information. Experimental studies in the literature give differing views on Mg coordination, and on the presence of oxygen not bonded to Si, which we refer to as "non-network" oxygen. Results from our recent molecular dynamics modelling of MgO-SiO2 glasses with two different sets of rigid ion potentials in meta- and ortho-silicate compositions will be presented [1]. This stimulates reflection on several issues such as the interpretation of previous NMR studies in the literature, the wider applicability of the bridging and non-bridging oxygen scheme for silicate structures, and the relationship between heterogeneity and phase separation.
[1] G. Mountjoy, B. M. Al-Hasni, and C. Storey (2011) J. Non-Cryst. Solids 357 2522 - "Structural organisation in oxide glasses from molecular dynamics modelling".
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Numéro de preprint arXiv |
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Commentaires |
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Fichiers attachés |
- seminMOUNTJOY2012.pdf (149773 bytes)
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