The present contribution is dedicated to a molecular dynamics (MD) study of the structure of rarefied lead-germanate glasses of composition PbGeO3. The simulations have been performed in the constant volume regime for systems with densities of 3000, 4000, 5000 and 6285 kg/m(3), using a two-body potential (Born-Mayer repulsive forces, and Coulomb forces due to full ionic charges). 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 glasses is discussed and compared with the structure of the PbGeO3 glass in normal conditions.
Structure of rarefied PbGeO3 glass: a molecular dynamics study
WITKOWSKA, Agnieszka;MANCINI, Giorgio;FELIZIANI, Sandro
2000-01-01
Abstract
The present contribution is dedicated to a molecular dynamics (MD) study of the structure of rarefied lead-germanate glasses of composition PbGeO3. The simulations have been performed in the constant volume regime for systems with densities of 3000, 4000, 5000 and 6285 kg/m(3), using a two-body potential (Born-Mayer repulsive forces, and Coulomb forces due to full ionic charges). 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 glasses is discussed and compared with the structure of the PbGeO3 glass in normal conditions.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
