Interface properties of Ti3SiC2/Al2O3 ceramics: Combined experiments and first-principles calculations.

The synthesis, characterization, and first-principles calculations of Ti 3 SiC 2 /Al 2 O 3 ceramics were reported. X-ray diffraction measurements showed that the composite ceramics were highly pure. Scanning electron microscopy and transmission electron microscopy were used to characterize the interface information for Ti 3 SiC 2 and Al 2 O 3 crystals. Surface energies and interface properties were calculated using the first-principles method. The results suggested that Ti 3 SiC 2 with Ti terminations and Al 2 O 3 with O terminations are more stable than other terminations crystals. Thus powerful attraction between the coordinatively unsaturated Ti and O atoms on the Ti 3 SiC 2 ∥Al 2 O 3 interface would result in higher work of adhesion (Wad) and shorter boundary distance, demonstrating the intercrystalline strengthening of Ti 3 SiC 2 /Al 2 O 3 composite ceramics. [ABSTRACT FROM AUTHOR]