Elucidating the formation of Al-NBO bonds, Al-O-Al linkages and clusters in alkaline-earth aluminosilicate glasses based on molecular dynamics simulations

Exploring the reasons for the initiation of Al-O-Al bond formation in alkali-earth alumino silicate glasses is a key topic in the glass-science community. Evidence for the formation of Al-O-Al and Al-NBO bonds in the glass composition 38.7CaO-9.7MgO-12.9Al 2 O 3 -38.7SiO 2 (CMAS, mol%) has been prov...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2019-11, Vol.21 (43), p.23966-23977
Hauptverfasser:	Ganisetti, Sudheer, Gaddam, Anuraag, Kumar, Rajesh, Balaji, Sathravada, Mather, Glenn C, Pascual, Maria J, Fabian, Margit, Siegel, Renée, Senker, Jürgen, Kharton, Vladislav V, Guénolé, Julien, Krishnan, N. M. Anoop, Ferreira, José M. F, Allu, Amarnath R
Format:	Artikel
Sprache:	eng
Schlagworte:	Aluminosilicates Aluminum Aluminum silicates Calcium Cations Computer simulation Cooling rate Engineering Sciences Glass Magnesium Molecular dynamics Short range order Silicon Tetrahedra
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!