Effects of ternary elements on the ductility of TiAl

TiAl alloys have great potential for applications at high temperature due to their excellent material properties. However, the low ductility at the room-temperature restricted its application greatly. It is very important to find approaches of improving the ductility of the material. In this study, effects of ternary elements (Zr, Hf, V, Nb, Ta, Cr, Mo, W, Cu and Zn) on the ductility of TiAl were investigated by first-principle calculations. Results revealed that the addition of the atoms of Zr, Hf, Cu and Zn could improve the ductility of TiAl by changing the lattice parameter, the electronic structure, and the elastic constants of TiAl. The calculation results can be used as a reference for selecting alloying elements for ductility improvement of TiAl alloys.