| Abstract Scope |
Spherical gaussians, allowing the modeling of complex anisotropies, are used in modeling anisotropic polycrystalline grain growth (GG). Quaternions, assigned to individual grains as orientations and as misorientations for grain boundaries, conduct the ongoing mesoscale changes. A 5-D space scanning generates meaningful grain boundaries; inputted into the continuous function developed by Bulatov et al. to calculate grain boundary energy (GBE); which local minimas are used in the phase field model. The methodology involves using 2-D gaussian switches, which match the misorientation between grains with misorientations for the GBE minima. Accounting a threshold range for the minimas, the switch activates a Spherical Gaussian to set the GBE to the desired value; creating in combination a full 5-D GBE space. Multiphysics Object Oriented Simulation Environment (MOOSE), where reduced order parameters still retain individual grain identification useful for individually assigned quaternions, is used for implementation; with validation performed through bicrystal simulations of known outcomes. |