Abstract:
This thesis presents the study of the structural changes in ternary zinc magnesium glasses.
Compositional effects on the structural properties of the ternary zinc magnesium phosphate
glasses were studied for the development of the glasses with the improved chemical
durability. The basic methodology for the study is molecular dynamics simulations. The
short range structures in glasses were examined using the pair distribution function, angular
distribution function and coordination number analysis. Also the glass transition
temperature was measured for different compositions. The short range structure of the
simulated glasses was observed and the results were validated with the results obtained
from simulations and the experimentally measured data. It was found that the backbone
structure of the phosphate is not affected by the change in composition. As the zinc oxide
was replaced by the magnesium oxide the chemical durability of the glass was increased.
The results for the glass transition temperature show an increase in transition temperature
with the replacement of MgO by ZnO. It indicates the formation of more chemically
impervious bonds with increase in magnesium oxide content. The glass with the enhanced
chemical durability will be more impervious to the aqueous attack.
