The effect of crack orientation on fracture behavior of tantalum by multiscale simulation

The quasicontinuum (QC) multiscale method is used to investigate anisotropic fracture behaviors of body-centered cubic (BCC) rare metal tantalum (Ta) loaded in Mode I and different fracture mechanisms are discussed from nanoscopic to continuum perspectives to have a deep understanding of brittle and ductile fracture. Initial crack deflection, brittle fracture by cleaving along low surface energy plane, ductile fracture as a result of dislocation emission and fracture accompanied by deformation twinning are all observed near crack tips of different crystal orientations. Particularly, some of these fracture mechanisms are found to be consistent with the latest experimental results. By examining different fracture behaviors, we find the surface energy and the available slip planes play a combined role in determining the fracture mechanisms near a crack tip. Both isotropic and anisotropic critical stress intensity factors are derived and compared for different crack orientations. A straightforward criterion that is proved to be applicable is used to distinguish brittle fracture from ductile fracture.