Title of article :
Development of empirical potentials for sodium borosilicate glass systems
Author/Authors :
Kieu، نويسنده , , Le-Hai and Delaye، نويسنده , , Jean-Marc and Cormier، نويسنده , , Laurent and Stolz، نويسنده , , Claude، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
Pages :
9
From page :
3313
To page :
3321
Abstract :
New parameter values are proposed for the empirical potentials used to describe SiO2–B2O3–Na2O alkali borosilicate glass systems. They are based on Buckingham potentials, but include dependence between the fitting parameters and the glass chemical composition to improve the representation of the complex environment around the boron atoms. In particular, the boron anomaly (observed when the [Na2O]/[B2O3] ratio varies) is correctly reproduced. The structural and mechanical properties of a wide range of glass compositions and of reedmergnerite crystals are correctly simulated: bond distances, mean angles, densities, elastic moduli. The deviations from the experimental values are small.
Keywords :
GLASS , Empirical potentials , Alkali borosilicate , Elastic moduli
Journal title :
Journal of Non-Crystalline Solids
Serial Year :
2011
Journal title :
Journal of Non-Crystalline Solids
Record number :
1383314
Link To Document :
بازگشت