Crack Orientation versus Ductile-Brittle Behavior in 3D Atomistic Simulations
The paper presents results of molecular dynamic (MD) simulations in 3D bcc iron crystals with edge pre-existing cracks (001) and (110)  (crack plane/crack front) loaded uni-axially in tension mode I at temperature of 300 K. The iron crystals in MD have the same orientation and similar geometry as in our recent fracture tests performed at room temperature on iron (3wt.%Si) single crystals .
A. Spielmannová et al., "Crack Orientation versus Ductile-Brittle Behavior in 3D Atomistic Simulations", Materials Science Forum, Vols. 567-568, pp. 61-64, 2008