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Phase-field modeling of grain-boundary premelting using obstacle potentials
V Sai Pavan Kumar Bhogireddy1, C Hüter1, J Neugebauer1
1Max-Planck-Institut für Eisenforschung GmbH, 40237 Düsseldorf, Germany.
This study explores grain boundary premelting using a multi-order parameter phase field model. The model reveals that interactions can be attractive or repulsive, directly linking premelting transitions to interfacial energy ratios.
Area of Science:
- Materials Science
- Thermodynamics
- Computational Physics
Background:
- Grain boundary premelting is a critical phenomenon influencing material properties.
- Existing single-order parameter models simplify solid-melt interface interactions.
Purpose of the Study:
- To investigate the multi-order parameter phase field model for describing grain boundary premelting.
- To analyze the influence of model parameters on interface interactions and premelting behavior.
Main Methods:
- Utilized the multi-order parameter phase field model by Steinbach and Pezzolla.
- Analyzed temperature-dependent melt layer thickness and disjoining potential.
- Examined the effects of thermal coupling functions and liquid phase measures.
Main Results:
- Single-order parameter models predict attractive solid-melt interfaces, enabling coexistence above the melting point.
- Multi-order parameter models exhibit either purely attractive or purely repulsive finite-ranged interactions.
- Premelting transition is directly correlated with the ratio of grain boundary to solid-melt interfacial energy.
Conclusions:
- The multi-order parameter phase field model provides a more nuanced description of grain boundary premelting.
- Interface interaction range is finite due to finite interface thickness.
- Interfacial energy ratios are key determinants of premelting transitions.
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