An object-oriented finite element framework for multiphysics phase field simulations

• Published in: Computational materials science 2012-01, Vol.51 (1), p.20-29
• Main Authors: Tonks, Michael R., Gaston, Derek, Millett, Paul C., Andrs, David, Talbot, Paul
• Format: Article
• Language: English
• Subjects: ARCHITECTURE; Computer simulation; Condensed matter: structure, mechanical and thermal properties; Defects and impurities in crystals; microstructure; Equations of state, phase equilibria, and phase transitions; Exact sciences and technology; Finite Element Method; GRAIN GROWTH; Jacobian-Free Newton Krylov; MATERIALS SCIENCE; Mathematical analysis; Mathematical models; Mesh Adaptivity; MICROSTRUCTURE; Object oriented; Object-oriented programming; PARTIAL DIFFERENTIAL EQUATIONS; Phase Field Model; Phase separation; PHYSICS; SIMULATION; Solubility, segregation, and mixing; phase separation; Structure of solids and liquids; crystallography
• ISSN: 0927-0256; 1879-0801
• DOI: 10.1016/j.commatsci.2011.07.028

▸ Generic phase field framework created using advanced computational tools. ▸ Multiphysics phase field equations are solved fully coupled using JFNK. ▸ Object-oriented architecture is used to facilitate development of new models. ▸ Mesh adaptivity used to accurately resolve interfacial widths. ▸ Time step is adapted to follow evolving time scale. The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory’s finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously together with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in the phase field PDEs to facilitate development of new models with very little effort. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are also included to demonstrate the muliphysics capability.