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Grand-potential formulation for multicomponent phase transformations combined with thin-interface asymptotics of the
Abhik Choudhury1, Britta Nestler
1Karlsruhe Institute of Technology (KIT), IAM-ZBS, Haid-und-Neu-Str. 7, D-76131 Karlsruhe, Germany. abhiknc@gmail.com
This study presents a modified phase-field model for simulating alloy phase transformations, overcoming limitations in interface energy calculations. The enhanced model accurately captures microstructure evolution by decoupling bulk and interface contributions.
Area of Science:
- Materials Science
- Computational Materials Science
- Thermodynamics
Background:
- Phase-field models are crucial for simulating microstructure evolution in alloys.
- Existing models face limitations due to the grand-chemical-potential excess affecting interface energy and scale.
- These limitations restrict simulation domain size and observable microstructure dynamics.
Purpose of the Study:
- To derive a robust model for simulating phase transformations in multicomponent alloys.
- To address limitations of standard phase-field models concerning interface energy contributions.
- To enable larger-scale simulations of microstructure evolution.
Main Methods:
- Derivation of a phase-field model from a grand-potential functional.
- Modification of the model to decouple bulk and interface contributions.
- Thin-interface asymptotic analysis to determine kinetic coefficients and antitrapping currents.
Main Results:
- A modified phase-field model is developed, overcoming limitations of standard approaches.
- The model effectively decouples bulk and interface contributions to energy.
- Thin-interface analysis yields parameters to eliminate chemical potential jumps at interfaces.
Conclusions:
- The proposed model enhances the accuracy and applicability of phase-field simulations for alloy transformations.
- Decoupling bulk and interface contributions allows for larger-scale microstructure evolution studies.
- The method provides a pathway for more reliable simulations of complex alloy systems.
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