Molecular dynamics characterization of medium-range order in (AgI)x(Ag2O-2B2O3)1-x glass

The structural properties of a model (AgI)x(Ag2O-2B2O3)1-x glass are determined through molecular dynamics (MD) simulation. The total neutron diffraction pattern, reconstructed from the MD partial structure factors, shows a peak at low wavevectors (k approximately=0.9 AA-1) in qualitative agreement with neutron diffraction experimental data for the real glass. The overall analysis of the MD structural information permits one to conclude that the medium-range order observed in the glass is due to correlation of AgI clusters, which coexist with the B2O3 network.