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PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method
npj Computational Materials ( IF 9.7 ) Pub Date : 2020-03-26 , DOI: 10.1038/s41524-020-0298-5
Stephen DeWitt , Shiva Rudraraju , David Montiel , W. Beck Andrews , Katsuyo Thornton

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 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 time-integration 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.



中文翻译:

PRISMS-PF:使用无矩阵有限元方法进行相场建模的通用框架

提出了一个新的相场建模框架,该框架着重于性能,灵活性和易用性。在实现这些目标所采用的策略中,最重要的是使用无矩阵的有限元方法和以应用程序为中心的模块化代码结构。这种方法在新的开源PRISMS-PF框架中实现。它的性能是通过将有限元方法的无矩阵变体与自适应网格细化,显式时间积分和多级并行性相结合而实现的。带有粒子增长问题的基准测试表明,具有自适应网格细化和高阶元素的PRISMS-PF比采用二阶精确空间离散化和一阶精确显式时间积分的有限差分代码快12倍。此外,对于二维凝固基准问题,即使基准问题的小计算量降低了显式时间的可伸缩性优势,PRISMS-PF的性能也达到或超过了专注于隐式/半隐式时间步长的相场框架的性能。 -整合方案。PRISMS-PF支持任意数量的耦合控制方程。代码结构通过将其定义与用于求解它们的数值方法的实现分离开来,简化了这些控制方程的修改。作为其模块化设计的一部分,该框架包括成核功能和可在任何应用程序中使用的多晶系统,以进一步拓宽可用于研究的现象。

更新日期:2020-03-26
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