Alumina content effect on thermodynamic, mechanical and structural properties of calcium silicate glass: a molecular dynamics simulation
Date:
Talk on the effect of alumina content on the thermodynamic, mechanical and structural properties of calcium silicate glasses, studied via molecular dynamics simulations. The results were later published as Alumina effect on the structure and properties of calcium aluminosilicate in the percalcic region: A molecular dynamics investigation, Journal of Non-Crystalline Solids 525 (2019).
Abstract: Calcium aluminosilicate (CAS) glasses are important materials with a wide range of applications. In this study, molecular dynamics simulations are used to investigate the alumina effect on the structure and properties of CAS glasses in the percalcic region. The structural analysis reveals that Al₂O₃ acts as a network former, with aluminum predominantly in tetrahedral coordination. Increasing Al₂O₃ content modifies the network connectivity, intermediate-range order, and mechanical properties of the glasses. These findings provide insights into the compositional design of CAS glasses with tailored properties.