Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

Quasi-binary phosphate-vanadate glasses have been studied by both IR spectroscopy and a novel method of molecular dynamics with non-constant force field. This is used for the self-assembly structural models glasses. The obtained glass network structure are analyzed quantitatively using element distribution number R–O–R bonds (R phosphorous or vanadium) 4-, 6-, 8-membered cycles. bends on concentration dependences atoms in second coordination sphere agree well changing shape spectra. Based cycle analysis, formation cycles shown to be more characteristic vanadate fragments that can form 4-membered cycles, which, according Zachariasen’s rule, negatively affects glass-forming ability.