ISOTOPE SUBSTITUTION IN B2O3 GLASS - A MOLECULAR-DYNAMICS STUDY

The results of molecular dynamics simulations of boron oxide glasses w ith different isotopic compositions (B-11, B-10, O-16, O-18) are prese nted. The influence of boron and oxygen mass on the vibrational spectr a is considered and compared with experimental data from the literatur e. The position of the dominant Raman line at 805 cm-1 appears to depe nd only on the oxygen mass while the position of the infrared absorbti on band at 1260 cm-1 is influenced by the boron as well as the oxygen mass. These results are in agreement with the experimental data.