Crystallographic Effect of TiAl Alloy Under High-Speed Shock Deformation

In this paper, the molecular dynamics simulation method was adopted to systematically study the microstructure evolution behavior of TiAl alloys under impact compression under three typical crystal orientations ([001], [110], [111]). By analyzing the characteristics of structural phase transition, defect type evolution, dislocation expansion, and radial distribution function, the anisotropic response mechanism under the joint regulation of crystal orientation and impact velocity was revealed. The results show that the [111] crystal orientation is most prone to local amorphous transformation at high strain rates, and its structural collapse is due to the rapid accumulation and limited reconstruction of dislocations/faults. The [001] crystal orientation is prone to forming staggered stacking of layers and local HCP phase transformation, presenting as a medium-strength structural disorder. Under the strain regulation mechanism dominated by twinning, the [110] orientation exhibits superior structural stability and anti-disorder ability. With increases in the impact velocity, the defect type gradually changes from isolated dislocations to large-scale HCP regions and amorphous bands, and there are significant differences in the critical velocities of amorphous transformation corresponding to different crystal orientations. Further analysis indicates that the HCP structure and the formation of layering faults are important precursor states of amorphous transformation. The evolution of the g(r) function verifies the stepwise disintegration process of medium and long-range ordered structures under shock induction. It provides a new theoretical basis and microscopic perspective for the microstructure regulation, damage tolerance improvement, and impact resistance design of TiAl alloys under extreme stress conditions.