Authors: P.A. Gordon, T. Neeraj, Y. Li and M.J. Luton
Affilation: ExxonMobil Research & Engineering, United States
Pages: 512 - 515
Keywords: Fe, simulation, dislocation emission, transition states
This work employs transition pathway analysis to examine the activation barriers associated with failure of atomically sharp cracktips in Fe. The effect of structual and compositional heterogeneities are explored, as it is speculated that these factors may have a significant effect on the intrinsic toughness of steels. In particular, factors that alter the competition between brittle fracture and ductile blunting of cracktips can have an impact on the ductile to brittle transition temperature, a property that can limit material performance in a given application.