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Updated: Aug 20, 2025
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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
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Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics.
Xiaobo Jing1,2, Qi Wang2
1Beijing Computational Science Research Center, Beijing 100193, China.
Entropy (Basel, Switzerland)
|November 24, 2022
Summary
This study introduces a new thermodynamic model linking bulk and surface material behaviors. The model, demonstrated with binary materials, offers a unified framework for understanding coupled dynamics.
Area of Science:
- Thermodynamics
- Materials Science
- Computational Modeling
Background:
- Coupling bulk and surface dynamics is crucial for materials behavior.
- Existing models often lack a unified, thermodynamically consistent framework.
- Hierarchical modeling following Onsager principles offers a promising approach.
Purpose of the Study:
- To develop a constructive paradigm for thermodynamically consistent models coupling bulk and surface dynamics.
- To allow distinct bulk and surface thermodynamic variables.
- To incorporate bulk, surface, and coupling energies, potentially non-local.
Main Methods:
- Generalized Onsager principle for hierarchical coupling.
- Phase field modeling for binary materials.
- Numerical simulations using structure-preserving algorithms.
Main Results:
- The proposed paradigm generates thermodynamically consistent coupled models.
- Existing models for binary systems are shown as special cases.
- Demonstrated how boundary reactive transport influences bulk dynamics.
Conclusions:
- The developed paradigm provides a flexible framework for modeling coupled bulk-surface phenomena.
- The approach allows for detailed investigation of boundary effects on bulk properties.
- Numerical validation confirms the model's capability in complex scenarios like reactive transport.
Keywords:
binary phase field modeldynamic boundary conditionsenergy dissipationthermodynamically consistent modelMore Related Videos
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