Modifier constraints in alkali ultraphosphate glasses

Bruno P. Rodrigues, John C. Mauro, Yuanzheng Yue, Lothar Wondraczek

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15 Scopus citations

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 - x)P2O5(with x ≥ 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. ;copy; 2014 Elsevier B.V.

Original languageEnglish (US)
Pages (from-to)12-15
Number of pages4
JournalJournal of Non-Crystalline Solids
Volume405
DOIs
Publication statusPublished - Dec 1 2014

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All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

@article{7f7b8a52b1024b51b88bec3323f59b47,
title = "Modifier constraints in alkali ultraphosphate glasses",
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 - x)P2O5(with x ≥ 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. ;copy; 2014 Elsevier B.V.",
author = "Rodrigues, {Bruno P.} and Mauro, {John C.} and Yuanzheng Yue and Lothar Wondraczek",
year = "2014",
month = "12",
day = "1",
doi = "10.1016/j.jnoncrysol.2014.08.035",
language = "English (US)",
volume = "405",
pages = "12--15",
journal = "Journal of Non-Crystalline Solids",
issn = "0022-3093",
publisher = "Elsevier",

}