抄録
Nickel was added to improve the ductility of a new reaction sintered Al-Ti-N alloy which consists of A13Ti and A1N phases. The added Ni transformed the crystal structure of Al3Ti from DO22 to a high symmetry L12, and as a result, improved the ductility of the alloy.
The DV-X α molecular orbital calculation suggested that Ti atoms were able to locate at the 2nd neighbor sites of Ti atoms by substitution of Ni atoms for a part of Al atoms, namely, the 1st neighbor sites of Ti atoms. This atomic configuration is the mechanism for the stabilization of the L12 crystal structure of AI3Ti by the addition of Ni.
