About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Phase Field Modeling of Anisotropic Bicrystal/Tricrystal Grain Growth Using a Spherical-Gaussian-Based 5-D Computational Approach |
Author(s) |
Lenissongui Cedric Yeo, Jacob Bair |
On-Site Speaker (Planned) |
Lenissongui Cedric Yeo |
Abstract Scope |
Two phase field models were developed to model 5-D anisotropy grain growth using a spherical gaussians method. Quaternions are used for representing grains orientations and misorientations. To incorporate the effects of specific low energy boundaries, as twin boundaries, the landscape of the system to be studied is scanned and incorporated in MATLAB as a list of quaternions; where the grain boundary energy of each potential grain boundary misorientations and the near vicinity are calculated from the continuous function developed by Bulatov et al. for nickel from atomistic simulation data. Minima are kept as minima library and used in both models. 2-D gaussian switches compare the studied system misorientations between pair of grains to the list of minima misorientations. The Multiphysics Object Oriented Simulation Environment (MOOSE) is used to perform series of bicrystal and tricrystal simulations using both models; with variations in settings yielding close to accurate values. |
Proceedings Inclusion? |
Planned: |