Structure of amorphous oxide Al2O3: Results of a molecular-dynamics experiment

The structure of amorphous aluminum oxide was simulated by the molecular-dynamics method. A random distribution of Al 3+ and O 2− ions over the volumes of cubes with sides of 21 and 24 Å was used as a starting configuration. The character of the distribution of cations in the anion subsystem was analyzed. It was shown that formation of voids in model clusters is possible when the average electron density is underestimated