Boroxol rings and the stochastic matrix method

Citation
Gg. Naumis et al., Boroxol rings and the stochastic matrix method, REV MEX FIS, 44, 1998, pp. 80-84
Citations number
19
Categorie Soggetti
Physics
Journal title
REVISTA MEXICANA DE FISICA
ISSN journal
0035001X → ACNP
Volume
44
Year of publication
1998
Supplement
3
Pages
80 - 84
Database
ISI
SICI code
0035-001X(199812)44:<80:BRATSM>2.0.ZU;2-P
Abstract
A statistical model based on the stochastic matrix method is developed and used to find the fraction of boron atoms belonging to boroxol rings in a bo ron oxide (B2O3) glass. These results are compared with recent experimental data from inelastic neutron scattering estimates. The method also allows t o evaluate the energies related to the formation of a single B-O-B unit in an oxygen bridge or in a boroxol ring. The qualitative behavior of the heat capacity C-p(T) during the glass transition is reproduced, with the inflex ion point at the temperature given by the experiment. The model gives a rea sonable qualitative prediction for the growth of micro-clusters.