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Grand-potential-based phase-field model for multiple phases, grains, and chemical components
Larry K Aagesen1, Yipeng Gao1, Daniel Schwen1
1Fuels Modeling and Simulation Department, Idaho National Laboratory, P.O. Box 1625, Idaho Falls, Idaho 83415, USA.
Abstract:
Grand-potential-based phase-field model for multiple phases, grains, and chemical components is derived from a grand-potential functional. Due to the grand-potential formulation, the chemical energy does not contribute to the interfacial energy between phases, simplifying parametrization and decoupling interface thickness from interfacial energy, which can potentially allow increased interface thicknesses and therefore improved computational efficiency. Two-phase interfaces are stable with respect to the formation of additional phases, simplifying implementation and allowing the variational form of the evolution equations to be used. Additionally, we show that grand-potential-based phase-field models are capable of simulating phase separation, and we derive conditions under which this is possible.
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