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<p>The spherical-Gaussian approach, previously coupled to two models originally developed by Moelans, renamed epsilon and gamma models, was initially used to successfully incorporate 5-D anisotropy into bicrystal simulations, and now lead to further tricrystal investigation in this study. The representation of grain orientations and misorientations is achieved through quaternions. To analyze the evolution of grain boundaries in different tricrystal scenarios, a segment of the fundamental zone for Σ3 grain boundaries is extracted from Olmsted's work, providing a specific minima library. The comparison of system misorientations between pairs of grains is facilitated by 2-D Gaussian switches, referencing the list of minima misorientations. Activation of these switches results in a reduction from the initially assigned base energy to that of the minima library energy. Tricrystal simulations are conducted using the Multiphysics Object Oriented Simulation Environment (MOOSE), testing both epsilon and gamma models. Results showed the high effectiveness of anisotropy through GB energy only, compared to adding anisotropic GB mobility, in affecting the microstructural evolution. The flexibility in simulation settings leads to a diverse range of microstructural behaviors, assessing the adaptability and versatility of the models under different conditions.</p>

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Anisotropic Phase-Field Modeling of Tricrystal Grain Growth Using a Spherical-Gaussian-Based 5-D Computational Approach

  • 期刊论文

  • 发表日期：

    2025年8月20日

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  • Lenissongui C. Yeo,
  • Jacob L. Bair

摘要

The spherical-Gaussian approach, previously coupled to two models originally developed by Moelans, renamed epsilon and gamma models, was initially used to successfully incorporate 5-D anisotropy into bicrystal simulations, and now lead to further tricrystal investigation in this study. The representation of grain orientations and misorientations is achieved through quaternions. To analyze the evolution of grain boundaries in different tricrystal scenarios, a segment of the fundamental zone for Σ3 grain boundaries is extracted from Olmsted's work, providing a specific minima library. The comparison of system misorientations between pairs of grains is facilitated by 2-D Gaussian switches, referencing the list of minima misorientations. Activation of these switches results in a reduction from the initially assigned base energy to that of the minima library energy. Tricrystal simulations are conducted using the Multiphysics Object Oriented Simulation Environment (MOOSE), testing both epsilon and gamma models. Results showed the high effectiveness of anisotropy through GB energy only, compared to adding anisotropic GB mobility, in affecting the microstructural evolution. The flexibility in simulation settings leads to a diverse range of microstructural behaviors, assessing the adaptability and versatility of the models under different conditions.