About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
A Phase Field Model for Grain Growth Capturing All Five Degrees of Freedom of the Grain Boundary Energy |
Author(s) |
Philip Staublin, James A Warren, Peter W Voorhees |
On-Site Speaker (Planned) |
Philip Staublin |
Abstract Scope |
Phase field models using the orientation-field approach offer a computationally efficient approach to simulation of polycrystalline grain growth. These models can incorporate the dependence of properties on the misorientation and inclination of each grain boundary without introducing unphysical triple junction drag or spontaneous grain formation. Extensions of orientation-field models into three dimensions requires a rotationally invariant free energy and consideration of bicrystal symmetry. We extend an orientation-field model for anisotropic grain growth to three dimensions, using a quaternion representation for the orientation field and considering the vector of infinitesimal rotation as the orientation gradient. Because the magnitude of the infinitesimal rotation vector measures local misorientation, the rotational invariance of the energy is preserved. An expansion in symmetrized hyperspherical harmonic functions encodes the misorientation dependence of the grain boundary energy while respecting the crystal symmetry. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, |