MOLECULAR-DYNAMICS SIMULATION OF LEAD METAPHOSPHATE PB(PO3)(2) GLASS

A molecular dynamics study of lead metaphosphate glass, of composition Pb(PO3)(2), has been performed in order to evaluate structural detail s of this system. This simulation reproduces well experimentally deter mined bulk structural features and short-range order has been verified by the presence of corner-linked phosphate tetrahedra. A connectivity study of the phosphate backbone shows the presence of phosphate chain s and ring structures. Further, a secondary network, made up of the mo difier lead cations linked by non-bridging oxygens, is observed, as po stulated by the modified random network theory.