Abstract
In Si 3 N 4 ceramics sintered with Al 2 O 3 , the interfacial strength between the intergranular glass and the reinforcing grains has been observed to increase with increases in the aluminum and oxygen content of the epitaxial β-Si 6-z Al z O z N 8-z layer that forms on the Si 3 N 4 grains. This has been attributed to the formation of a network of strong bonds (cross bonds) that span the glass-crystalline interface. This proposed mechanism is considered further in light of first-principles atomic cluster calculations of the relative stabilities of bridge and threefold-bonded atomic fragments chosen to represent compositional changes at the glass/Si 3 N 4 grain interface. Calculated binding energies indicate Al-N binding is favorable at the Si 3 N 4 grain surface, where aluminum occupancy can promote the growth of SiAION, further enhancing the cross-bonding mechanism of interfacial strengthening.
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