PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method

Stephen DeWitt, Shiva Rudraraju, David Montiel, W. Beck Andrews, Katsuyo Thornton
2020 npj Computational Materials  
A new phase-field modeling framework with an emphasis on performance, flexibility, and ease of use is presented. Foremost among the strategies employed to fulfill these objectives are the use of a matrix-free finite element method and a modular, application-centric code structure. This approach is implemented in the new open-source PRISMS-PF framework. Its performance is enabled by the combination of a matrix-free variant of the finite element method with adaptive mesh refinement, explicit time
more » ... integration, and multilevel parallelism. Benchmark testing with a particle growth problem shows PRISMS-PF with adaptive mesh refinement and higher-order elements to be up to 12 times faster than a finite difference code employing a second-order-accurate spatial discretization and first-order-accurate explicit time integration. Furthermore, for a two-dimensional solidification benchmark problem, the performance of PRISMS-PF meets or exceeds that of phase-field frameworks that focus on implicit/semi-implicit time stepping, even though the benchmark problem's small computational size reduces the scalability advantage of explicit timeintegration schemes. PRISMS-PF supports an arbitrary number of coupled governing equations. The code structure simplifies the modification of these governing equations by separating their definition from the implementation of the numerical methods used to solve them. As part of its modular design, the framework includes functionality for nucleation and polycrystalline systems available in any application to further broaden the phenomena that can be used to study. The versatility of this approach is demonstrated with examples from several common types of phase-field simulations, including coarsening subsequent to spinodal decomposition, solidification, precipitation, grain growth, and corrosion. npj Computational Materials (2020) 6:29 ; https://doi.org/10.1038/s41524-020-0298-5 1. The computational performance, including parallel scalability, should meet or exceed that of typical phase-field codes. 2. The framework should support a variety of phase-field models to be useful to a large cross section of the phasefield community. 3. The interface for creating or modifying a set of governing equations should be straightforward and as separated as possible from the numerical methods used to solve them.
doi:10.1038/s41524-020-0298-5 fatcat:rkk4aggjgvft3kf6nrdz4rv7wq