Temperature dependence of microstructure in liquid aluminosilicate

Abstract

The structure of liquid Al2O3.2SiO2 (AS2) have been investigated by means molecular dynamics simulation with the Born-Mayer potential at different temperatures. The structural characteristics are analyzed via the partial radial distribution functions, coordination number, bond angle and bond length distributions. The results show that, the structure of the liquid aluminosilicate consist the basic structural units TOx (T = Al, Si; x = 3, 4, 5). The fraction of TOx units have a small change, in which the shape and size of the basic structural units are identical and do not depended on temperature. Calculations also show that calculated data agree well with the experimental ones.