Study of Semiconducting Iron-Containing Glasses by Electron Paramagnetic Resonance

New interaction potentials for alkali and alkaline-earth aluminosilicate glasses

“…Differences in the behavior of the bulk and Young's moduli with increasing alkali content for the different alkali systems can be attributed to the reduced free volume which results in an increased bulk modulus 41 . Figure 7(a) and (b) also demonstrate that the SHIK potential is not only able to predict the trends in the elastic moduli as a function of composition but also reproduce well their magnitude over the range of compositions studied here in that the predicted values differ at most by 10% from the experimental ones 4,78,79 . The top two panels in Fig.…”

“…6(b) show the composition-dependence of the density in ternary systems with a constant amount of alkali as the amount of alumina is varied, while the bottom panel shows the density at a constant amount of silica as the amount of alkali is varied. These graphs demonstrate that the new potentials are not only able to reproduce reliably the trends in density found in the experimental data when the concentration of the modifier is changed 4,78,79 , they are also able to predict the density values within a few percent error over a wide range of compositions. Note that since for calcium silicate glass not much experimental data was available because of phase separation 80 , we compare our data for the ternary system of sodium-calcium silicate instead, see bottom panel in Fig.…”