COMPUTER-SIMULATION OF NONCRYSTALLINE OXIDES MEO AND ME(2)O(3)

Two sequences of ionic models for liquid (at 2000 K) and amorphous (at 0 K) MeO and Me(2)O(3) oxides were developed using Born-Mayer potenti als. Oxides of the same sequence differ in the repulsion of the ionic cores of Me and O atoms. The molecular dynamics and continuous static relaxation structure data for oxides of MeO and Me(2)O(3) type are ana lyzed. The structure of oxides with large Me(2+) and Me(3+) ions is de nse, with coordination numbers (z) over bar(12) = 6-7. If the radius o f the Me ion is decreased a loose structure is formed (tetrahedral str ucture, layered trigonal network or linear one). A measure of the topo logical looseness of a non-crystalline structure is proposed.