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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Algorithms Development in Materials Science and Engineering
Presentation Title An improved phase-field model for grain growth with arbitrary misorientation-dependence of grain boundary energy
Author(s) Philip Staublin, Yuri Mishin, Peter W Voorhees, James A Warren
On-Site Speaker (Planned) Philip Staublin
Abstract Scope Phase-field models for grain growth enable prediction of the structure and properties of polycrystalline materials, provided that the dependence of grain boundary properties on crystallography can be parameterized by the model. We present a modification to the Kobayashi-Warren-Carter model for grain growth with misorientation-dependent coefficients, enabling the embedding of (nearly) arbitrary forms of the grain boundary energy as a function of misorientation. Because the grain boundary misorientation is a non-local quantity, we compute the misorientation algorithmically, as the difference in the orientation field at a fixed distance in either direction along the grain boundary normal vector. We demonstrate the capability of the modified model to reproduce grain boundary energies which decrease with misorientation angle, while maintaining expected characteristics of curvature-driven grain boundary migration, including triple junction dihedral angles. Finally, we propose an extension of the model to three dimensions.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Computational Materials Science & Engineering,

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