Abstract
Surface energies of α-Al2O3 were calculated using molecular dynamics (MD) method. It was found that the surface energy strongly depends on crystal orientation. The surface energy of {10·0} plane had the maximum value of about 13 J·m−2, while that of the other crystallographic planes ranged between 2 and 4 J·m−2. The fracture toughness of single crystal α-Al2O3 had relatively good correlation with surface energies of {10·0} and {10·2} planes. It was concluded that surface energies highly contributed to the cleavage fracture of {10·0} and {10·2} planes.
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