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.
Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: May 20, 2007
Pages: 512 - 515
Industry sector: Advanced Materials & Manufacturing
Topics: Informatics, Modeling & Simulation