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Title: Structure-topology-property correlations of sodium phosphosilicate glasses

In this work, we investigate the correlations among structure, topology, and properties in a series of sodium phosphosilicate glasses with [SiO{sub 2}]/[SiO{sub 2} + P{sub 2}O{sub 5}] ranging from 0 to 1. The network structure is characterized by {sup 29}Si and {sup 31}P magic-angle spinning nuclear magnetic resonance and Raman spectroscopy. The results show the formation of six-fold coordinated silicon species in phosphorous-rich glasses. Based on the structural data, we propose a formation mechanism of the six-fold coordinated silicon, which is used to develop a quantitative structural model for predicting the speciation of the network forming units as a function of chemical composition. The structural model is then used to establish a temperature-dependent constraint description of phosphosilicate glass topology that enables prediction of glass transition temperature, liquid fragility, and indentation hardness. The topological constraint model provides insight into structural origin of the mixed network former effect in phosphosilicate glasses.
Authors:
;  [1] ; ; ;  [2] ;  [1] ;  [3]
  1. Section of Chemistry, Aalborg University, Fredrik Bajers Vej 7H, Aalborg 9220 (Denmark)
  2. Science and Technology Division, Corning Incorporated, Corning, New York 14831 (United States)
  3. (China)
Publication Date:
OSTI Identifier:
22493514
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 6; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHEMICAL COMPOSITION; CORRELATIONS; HARDNESS; LIMITING VALUES; NMR SPECTRA; NUCLEAR MAGNETIC RESONANCE; PHOSPHATE GLASS; PHOSPHORUS 31; PHOSPHORUS OXIDES; RAMAN SPECTROSCOPY; SILICON 29; SODIUM COMPOUNDS; STRUCTURAL MODELS; TEMPERATURE DEPENDENCE; TRANSITION TEMPERATURE