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Critical events, entropy, and the grain boundary character distribution

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

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Physical Review. B 83 (2011), No.13, Art. 134117, 12 pp.
ISSN: 0163-1829
ISSN: 1098-0121
ISSN: 0556-2805
English
Journal Article
Fraunhofer IGD ()
Fraunhofer Austria ()
coarsening; large scale simulation; texture

Abstract
Mesoscale experiment and simulation permit harvesting information about both geometric features and texture in polycrystals. The grain boundary character distribution (GBCD) is an empirical distribution of the relative length [in two dimensions (2D)] or area (in 3D) of an interface with a given lattice misorientation and normal. During the growth process, an initially random distribution of boundary types reaches a steady state that is strongly correlated to the interfacial energy density. In simulation, it is found that if the given energy density depends only on lattice misorientation, then the steady-state GBCD and the energy are related by a Boltzmann distribution. This is among the simplest nonrandom distributions, corresponding to independent trials with respect to the energy. In this paper, we derive an entropy-based theory that suggests that the evolution of the GBCD satisfies a Fokker-Planck equation, an equation whose stationary state is a Boltzmann distributi on. 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 with curvature-driven growth, and determines a dissipation relation. A simplified coarsening model is introduced that 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. 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 two-dimensional simulations and is consistent with experiment.

: http://publica.fraunhofer.de/documents/N-190023.html