Revealing the unique evolution and splitting behavior of carbides at atomic-scale in TiAl alloys: the role of elastic interactions and chemical fluctuations

Abstract

Cubic perovskite-Ti₃AlC carbides are essential strengthening particles in TiAl alloys, especially for application above 800°C where coarsening is expected to occur. However, these carbides can decompose into small sub-particles upon extended annealing, and the underlying atomic-scale mechanisms, especially structural and compositional changes, driving this unique splitting remain unclear. This study revisits this behavior in a Ti-45Al-5Nb-0.75C alloy utilizing probe-corrected transmission electron microscopy, atom probe tomography and first-principle calculations. The results reveal that the elastic interactions significantly influence carbide evolution. While needle-like carbides transform to intact plates during aging, those in high-density regions tend to coalesce or align along elastically softest γ-matrix directions, forming low-energy plate-like carbide conglomerates. With extended annealing, periodic chemical fluctuations driven by lattice misfit, especially along the needles induce splitting. Simultaneously, a γ_i-phase with a larger tetragonality and a 90°-rotated c-axis relative to the γ matrix emerges between the sub-particles, which exhibits near-zero lattice mismatch with carbides along [001], combined with mass-center shifts of carbides, further stabilizing the split configurations. This study provides atomic-scale insights into the evolution and stability of strengthening precipitates in systems with tetragonal misfit, and offers new strategies for improving creep properties of TiAl alloys by tailoring carbide configurations.