Effect of Vanadium Doping on the Structure of TiAl:
Ab initio Calculations

E. A. Smirnova, É. I. Isaev, and Yu. Kh. Vekilov

Moscow State Institute of Steel and Alloys (Technological University), Leninski pr. 4, Moscow, 119049 Russia

Received October 28, 2003

Abstract—The degree of tetragonality of TiAl and the effect of vanadium doping on it are studied theoretically
in the framework of the coherent-potential approximation using ab initio potentials. It is shown that substitution
of vanadium for Ti increases the degree of tetragonality, whereas substitution of vanadium for aluminum
decreases the degree of tetragonality of the TiAl : V alloy and the lattice becomes virtually cubic when the vana-
dium content is about 8 at. %; this, in turn, can increase the plasticity of TiAl, which is brittle at low tempera-
tures. © 2004 MAIK “Nauka/Interperiodica”.

Pleiades Publishing home page | journal home page | top

If you have any problems with this server, contact webmaster.