POSSIBILITIES OF COMPUTERIZED CALCULATION OF THE PROPERTIES OF LIQUIDAND VITRIFIED OXIDES

The main methods of computer simulation of noncrystalline oxide system s are considered along with the possibilities of describing their prop erties on the basis of the ionic model. It is found possible to correc tly predict the main properties of liquid and vitreous oxides when usi ng even such simple pairwise interaction potentials as the Born-Meyer potentials. In some cases a reasonably accurate description of the pro perties is obtained using minimum input information, for example, ioni c radii (as it was made in the case of calcium fluoride).