New interaction potentials for alkaline earth silicate and borate glasses

Structure and properties of magnesium silicate borate melts glasses were investigated by using newly parameterized interaction potentials in molecular dynamics simulations compared with those calcium borate. The competition between the depolymerization silica network formation new bonds modifier ions leads to enhancement elastic moduli increasing content alkaline earth glasses. Compared silicate, higher result from a connectivity overall glass due incorporation fourfold coordinated more rigid connection SiO4 tetrahedra ions. In contrast silicates, effect on borates is dominated fraction boron (N4). Calcium N4 shows structure moduli.