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Elucidating the role of AlO 6 ‐octahedra in aluminum silicophosphate glasses through topological constraint theory
Author(s) -
Zeng Huidan,
Ye Feng,
Li Xiang,
Jiang Qi,
Chen Guorong,
Chen Jianding,
Sun Luyi
Publication year - 2017
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.14671
Subject(s) - octahedron , aluminium , materials science , crystallography , chemistry , metallurgy , crystal structure
The local structures of sodium aluminum silicophosphate glasses containing unique AlO 6 ‐octahedra were characterized through nuclear magnetic resonance (NMR) and modeled by topological constraint theory (TCT). Subsequent calculation results of the glass‐transition temperature ( T g ) and Vickers hardness ( H v ) obtained using TCT were verified by the experimental data, which provided us evidence of the glass former role of the AlO 6 ‐octahedra and their behavior in the aluminum‐containing glass systems. The glass‐forming behavior of the AlO 6 ‐octahedra was identified by their displacement of SiO 6 ‐octahedra based on their corresponding NMR spectrum. The structure featured a constant total amount of AlO 6 and SiO 6 ‐octahedra (AlO 6 ‐octahedra increased whereas SiO 6 ‐octahedra decreased) with an increasing aluminum content, which was caused by the mutual replacement between them. The glass former role of the AlO 6 ‐octahedra was further supported by the theoretical computation of T g and H v through application of TCT. Specifically, the model of the aluminum‐containing glasses reported here is an extension of the conventional TCT that only incorporates the constraints of the glass formers.