Abstract
Microscopic features of liquid and amorphous alumina (Al2O3) were simulated by molecular dynamics calculations. The simulations were performed in an orthorhombic cell with 3000 particles using the Born-Mayer potential at temperatures of 0, 2500, 2700, and 3000 K under constant pressure. It was found that a large cluster of pores contained several thousand spherical pores, which were formed with radii larger than 0.73 A. The observed variations of Al2O3 structures with atomic arrangements of AlOx (x=3, 4, 5, and 6) are discussed.
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