Atomistic simulation of crack propagation along y-TiAl lamellar interface

摘要

Due to start-up and shut-down operations of engine, TiAl structural components usually undergo not only static but also cyclic mechanical loading. The crack propagation mechanisms of y-TiAl under two types of loading are studied in this work to reveal the differences of the mechanisms under constant strain rate and cyclic loading. Since the crack prefers to nucleate at the interface, two types of loadings are applied to a y-TiAl interface system with a pre-existing micro-crack at the interface by the means of classical molecular dynamics simulation, the loading direction is along [111] perpendicular to the interface. The evolution of crack tip and dislocation is observed in atomistic scale. The results show that, under both loading types, the crack propagates asymmetrically, Shockley dislocations emit on the (-1-11) slip plane from the right crack tip and slip along [-1-1-2] direction. The dislocations blunt the extension of crack while the left crack tip propagates in a brittle way. During the cyclic loading, different with constant strain rate condition, the crack advances and dislocations slip with increasing loads and retreat during unloading. In addition, the stress decreases and the crack length increases with the increase of the cyclic loading number.