The influence of Frenkel defects on the deformation and fracture of alpha -Fe single crystals

摘要

The influence of Frenkel defects on the elastic, plastic and fracture behavior of alpha -Fe single crystals has been simulated with nanoscale tensile tests. In comparison to the overall behavior of ideal Fe lattices, Frenkel defects are found to reduce both the fracture strain and the yield stress of the model crystallites, independent of their orientation. Nevertheless, the damage mechanism, which finally leads to fracture of the crystallite, is not perturbed by the presence of the Frenkel defects.