Comparison of evolving interfaces, triple points, and quadruple points for discrete and diffuse interface methods

Abstract

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to the range of topological transitions that can occur over the course of the simulation. Microstructure evolution in a polycrystalline material that involves grain boundary motion is a particularly complex example due to the extreme variety, heterogeneity, and anisotropy of grain boundary properties. Accurately modeling this process is essential to determining processing-structure–property relationships in polycrystalline materials though. Simulations of microstructure evolution in such materials often use diffuse interface methods like the phase field method that are advantageous for their versatility and ease of handling complex geometries but can be prohibitively expensive due to the need for high interface resolution. Discrete interface methods require fewer grid points and can consequently exhibit better performance but have received comparatively little attention, perhaps due to the difficulties of maintaining the mesh and consistently implementing topological transitions on the grain boundary network. This work explicitly compares a recently-developed discrete interface method to a multiphase field method on several classical problems relating to microstructure evolution in polycrystalline materials: a shrinking spherical grain, the steady-state triple junction dihedral angle, and the steady-state quadruple point dihedral angle. In each case, the discrete method is found to meet or outperform the multiphase field method with respect to accuracy for comparable levels of refinement, demonstrating its potential efficacy as a numerical approach for microstructure evolution in polycrystalline materials.