Rapid multiphase-field model development using a modular free energy based approach with automatic differentiation in MOOSE/MARMOT
[1];
[1];
[2];
- Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuels Modeling and Simulation Department
- Idaho National Lab. (INL), Idaho Falls, ID (United States). Modeling and Simulation Department
- Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuels Modeling and Simulation Department ; Pennsylvania State Univ., University Park, PA (United States). Mechanical and Nuclear Engineering Department
In this paper, we present a novel rapid phase-field model development capability using a modular free energy based approach in the finite element based MOOSE framework. The phase-field equations are implemented in a general form as separate code form the model specific data such as the thermodynamic free energy density and mobility functions. This isolates researchers from complicated code and allows them to focus on implementing new material models. In addition, using a native symbolic differentiation algorithm, all required derivatives of the free energy density are automatically determined, removing sources for potential human error, and guaranteeing optimally preconditioned equation systems through fully populated Jacobian matrices. Free energy terms contributing to a phase-field model are abstracted into self contained objects that can be combined at will at simulation run time. Combining multiple chemical and mechanical free energy contributions allows the construction of coupled phase-field, mechanics, and multiphase models. Through just-in-time compilation, we greatly reduce the computational time required to evaluate the differentiated expressions. Lastly, we demonstrate the new capability on a variety of example simulations.
- Research Organization:
- Idaho National Laboratory (INL), Idaho Falls, ID (United States)
- Sponsoring Organization:
- USDOE Office of Nuclear Energy (NE)
- Grant/Contract Number:
- AC07-05ID14517
- OSTI ID:
- 1465939
- Alternate ID(s):
- OSTI ID: 1414841
- Report Number(s):
- INL/JOU-17-41181-Rev000
- Journal Information:
- Computational Materials Science, Vol. 132, Issue C; ISSN 0927-0256
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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