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Predictive theory for the grain boundary character distribution

: Barmak, Katayun; Eggeling, Eva; Emelianenko, Maria; Epshteyn, Yekaterina; Kinderlehrer, David; Sharp, Richard; Ta'asan, Shlomo


Palmiere, E.J.:
Recrystallization and grain growth IV. Selected, peer reviewed papers from the Fourth International Conference on Recrystallization and Grain Growth, ReX & GG 2010 : July 4 - 9, 2010, Sheffield, UK
Durnten-Zurich: TTP, 2012 (Materials Science Forum 715/716)
ISBN: 978-3-03-785390-0
International Conference on Recrystallization and Grain Growth (ReX & GG) <4, 2010, Sheffield>
Fraunhofer IGD ()
Fraunhofer Austria ()
simulation; materials research; prediction

Mesoscale experiment and simulation permit harvesting information about both geometric features and texture in material microstructures. The grain boundary character distribution (GBCD) is an empirical distribution of the relative length (in 2D) or area (in 3D) of interface with a given lattice misorientation and grain boundary normal. During the growth process, an initially random texture distribution reaches a steady state that is strongly correlated to the interfacial energy density. In simulation, it is found that if the given energy depends only on lattice misorientation, then the steady state GBCD and the energy are related by a Boltzmann distribution. This is among the simplest non-random distributions, corresponding to independent trials with respect to the energy. Why does such a simple distribution arise from such a complex system?
We derive an entropy based theory which suggests that the evolution of the GBCD satisfies a Fokker-Planck Equation. Cellular structures coarsen according to a local evolution law, curvature driven growth, and are limited by space filling constraints. The interaction between the evolution law and the constraints is governed primarily by the force balance at triple junctions, the natural boundary condition associated to curvature driven growth, and determines a dissipation relation. A simplified coarsening model is introduced which is driven by the boundary conditions and reflects the network level dissipation relation of the grain growth system. It resembles an ensemble of inertia-free spring-mass-dashpots. Critical application is made of the recent characterization of Fokker-Planck kinetics as a gradient flow for a free energy in deriving the theory. The theory predicts the results of large scale 2D simulations and is consistent with experiment.