The paper is dedicated to a molecular dynamics (MD) study of the structure of rarefied and densified lead-germanate glasses, of compositions PbGeO3 and PbGeO2. The simulations have been performed at constant volume for systems with densities of 3000, 4000, 5000, 6285 (normal density), 7000, and 8000 kg/m3, using a two-body potential (Born-Mayer repulsive forces, and Coulomb forces due to full ionic charges). All the systems were initially prepared as well equilibrated hot melts, and then slowly cooled down to 300 K. The information on short-range correlations was obtained in a conventional way (from radial and angular distribution functions), while the middle-range order was studied via cation-anion ring analysis. In the paper, the short- and medium-range order in the rarefied and densified glasses is discussed and compared with the structure of the PbGeO3 and PbGeO2 glasses at normal conditions.
|The Structure of Rarefied and Densified PbGeO3 And PbGeO2 Glasses: A Molecular Dynamics Study||2014-07-29|