Regensburg 2013 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 38: SYMM: Computational Challenges in Scale-Bridging Modeling of Materials
CPP 38.2: Invited Talk
Thursday, March 14, 2013, 10:00–10:30, H1
Deformation and Fracture of Solids: Tough Nuts at Atomic and Continuum Scales — •Peter Gumbsch1,2, Matous Mrovec1,2, Kinshuk Srivastava1, and Daniel Weygand1 — 1Institut for Applied Materials IAM, Karlsruhe Institute of Technology KIT — 2Fraunhofer IWM, Freiburg
Multiscale modeling of deformation processes in crystalline materials poses several challenges although the basic physical process, the motion of dislocations, is well understood. I will use the deformation of single crystalline alpha-iron to illustrate these challenges.
To feed dislocation dynamics with realistic atomistic information requires a reliable and computationally efficient description of the atomic interactions. We use a recently developed magnetic bond-order potential (BOP). Dislocation mobility laws for discrete dislocation dynamics (DDD) studies of large dislocation ensembles then require consideration of the full local stress state in a mesoscopic mobility law since it turned out that the effect of non-glide stresses and orientation of the applied loading is crucial for capturing the non-Schmid behavior.
Averaging the behavior of discrete dislocations into continuum mechanical equations is even more difficult. It requires a homogenization of the dislocation fields including a description of their multiplication and mutual interaction. The mathematical framework for such a continuum field theory is still not available. I will present a kinematically consistent continuum description of the dynamics of curved dislocation systems as a first approach to such a continuum field theory.