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

▸ 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. ▸ Tim...

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Bibliographic Details
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
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Summary:▸ 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.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2011.07.028