Journal
JOURNAL OF NON-CRYSTALLINE SOLIDS
Volume 382, Issue -, Pages 32-44Publisher
ELSEVIER
DOI: 10.1016/j.jnoncrysol.2013.09.022
Keywords
Sodium borosilicate glasses; Density; Molecular dynamics; Glass structure
Funding
- CEA
- AREVA
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This paper is devoted to a comparison of experimental, simulation, and theoretical results on the density of SiO2-B2O3-Na2O glasses. It is found that theoretical and simulation densities do compare favorably with experimental values yet simulations give a better estimate of the density of the samples. Furthermore, the structural make-up (i.e. types of borate and silicate units) of the ternary glasses and the volume of the elementary units have also been investigated with simulations and compared to theory. These results are found to compare favorably when R < R-d1 (R = [Na2O]/[B2O3], K = [SiO2]/[B2O3] and R-d1 = 0.5 + 0.25K) yet variations do exists when R > R-d1. These variations include more Na+ ions attaching to the borate network in simulations than theorized. (C) 2013 Elsevier B.V. All rights reserved.
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