Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1480993 | Journal of Non-Crystalline Solids | 2014 | 4 Pages |
Abstract
In applying the recently introduced concept of cationic constraint strength [J. Chem. Phys. 140, 214501 (2014)] to bond constraint theory (BCT) of binary phosphate glasses in the ultraphosphate region of xR2O-(1 â x)P2O5 (with x â¤Â 0.5 and R = {Li, Na, Cs}), we demonstrate that a fundamental limitation of BCT can be overcome. The modifiers are considered to exist in either “isolated” or “crosslinking” sites, in line with the so-called modifier sub-network [J. Chem. Phys. 140, 154501 (2014)] and each site is associated with a certain number of constraints. We estimate the compositional dependence of the modifier sites and then use this to calculate the glass transition temperature as a function of chemical composition. A statistical distribution of sites achieves a remarkable agreement with experimental data for all tested glasses and greatly improves upon previously published work.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Bruno P. Rodrigues, John C. Mauro, Yuanzheng Yue, Lothar Wondraczek,