Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling

To investigate the ordering and decomposition processes in Ti-Al-X [X = Si, Zr] alloys, the Monte Carlo simulations with first-principles parametrization of interatomic interactions were employed. It was shown that the processes of ordering and the precipitation in the Ti-Al system are closely related, and the stage of homogeneous ordering precedes the formation of ordered Ti3Al particles. It was found that the duration of homogeneous ordering is very sensitive to the annealing temperature and composition of alloy, and that precipitation becomes preferable as the temperature rises. In particular, uniform ordering of alloy Ti-12 at % Al was found during long-term holding at temperature below 850 K, while annealing at 1000 K resulted in formation of ordered Ti3Al particles. The obtained results agree well with the experimental data and allow explaining the features of the microstructure formed during annealing of the Ti-Al-X alloys.