Effect of interface type on deformation mechanisms of γ-TiAl alloy under different temperatures and strain rates by molecular dynamics simulation

Abstract

Crystalline interface plays a significant role in strengthening lamellar γ-TiAl alloys through reconciling the strength and ductility. Herein, the effects of temperature and strain rate on the tensile deformation of three lamellar γ-TiAl interface models are investigated by molecular dynamics simulations. The three interfaces, pseudo twin (PT), rotational boundary (RB), and true twin (TT), exhibit different tensile responses due to the different interface effects: TT interface only acts as a barrier of dislocation traversing to facilitate crack extension; PT interface acts as both dislocation barrier and emission source and has a stronger release of strain energy than TT interface, retarding the crack extension; RB interface can retard and resist crack extension due to the blunting and deflection of the crack tip and the best interface geometry compatibility. The defect evolution indicates that the elevated temperature suppresses dislocation propagation at low strain rate, while the high strain rate causes small lamellar stacking faults and slit-shaped holes along tensile direction at low temperature. In addition, the dual conditions of high strain rate and low temperature induce the phase transition from FCC to BCC and then BCC to HCP. These findings provide a specific insight to understand the atomistic mechanism of interface-mediated deformation.