Temperature dependence of simplexes and shell core in liquid aluminosilicate

Abstract

The structural evolution of liquid aluminosilicate under influence of temperature has been investigated details via the distribution of V-simplex, O-simplex, T-simplex, SC-particle, and SC-cluster. The result shows that the free space regions are formed by V-simplex with the radius increases as temperature increases. In addition, a large number of O-simplex, T-simplex, SC-particle, and SC-cluster was found in the model. The average radius of O-simplex, T-simplex, and the core of SC-particle significantly increases with temperature. The result also indicates that the number SC-cluster depends on the number SC-particle and temperature. There is a small change in the number of SC-cluster consists more one SC-particle as temperature increases. Our result has been also compared with previous studies.