Molecular dynamics simulations of edge dislocations in iron interacting with grain boundaries

Astrid Gubbels-Elzas and B. J. Thijsse, Delft University of Technology, Delft, The Netherlands

Plasticity in iron is governed by the motion of dislocations. Grain boundaries in the material, whether between similar or between dissimilar grains, act as a barrier for dislocation motion. Dislocations can be reflected by a grain boundary, absorbed, the direction of motion can be changed or a combination of these phenomena can occur. The influence of a grain boundary between a bcc and a fcc grain on the motion of an edge dislocation is studied with molecular dynamics simulations. The bcc material is described by an iron-potential capable of describing dislocation behaviour (L. Malerba et al., Journal of Nuclear Materials, 406, 2010). To study the influence of a grain boundary between a bcc and a fcc grain, this iron-potential is combined with a nickel-potential (G. Bonny et al., MSMSE, 17, 2009) to describe both phases. The interaction of edge dislocations with differently oriented grain boundaries is studied.

Poster