MD study of the short range structure of RO center dot xB(2)O(3) glasses: R=Mg, Ca, Sr and Ba; x=1, 2, 3 and 4

Molecular dynamics (MD) simulations have been performed for alkaline earth berate glasses using purely ionic potential functions. We present some resu lts concerning the pair correlation functions, g(r), the running coordinati on numbers n(r), the distance distribution functions for B with its third o r fourth nearest neighbour O ions, p(r(BO)) and the angular distribution fu nctions for O-(B) over cap O, p(theta (OBO)). The composition dependence of the most probable distances between adjacent O and Ca or Ba and the mean c oordination number of O around Ca or Ba is in good agreement with our XAFS results.