MD simulation of the tensile deformation and fracture of perfect and defect-containing TiAl single crystals

摘要

Defects such as small holes or scratches exist inevitably on the surfaces of cast or machinedparts.TiAl as a relatively brittle material is rather sensitive to these defects.The understandingof the atomic details of the deformation and fracture behavior of TiAl with surface defects isessential to the surface quality control and application of TiAl based alloys.