Structure-topology-property correlations of sodium phosphosilicate glasses

Journal Article · Fri Aug 14 04:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4928330· OSTI ID:22493514

Hermansen, Christian; Smedskjaer, Morten M. ^[1]; Guo, Xiaoju; Youngman, Randall E.; Mauro, John C. ^[2]; Yue, Yuanzheng ^[1]

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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)

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.

• OSTI ID: 22493514
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 6 Vol. 143; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

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