Nonequilibrium thermodynamic foundation of the grand-potential phase field model
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arXiv
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| Hauptverfasser: | , , |
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| Format: | Preprint |
| Veröffentlicht: |
2024
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| _version_ | 1866910843664334848 |
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| author | Zhang, Jin Warren, James A. Voorhees, Peter W. |
| author_facet | Zhang, Jin Warren, James A. Voorhees, Peter W. |
| contents | Choosing the correct free energy functional is critical when developing thermodynamically consistent phase field models. We show that the grand-potential phase field model minimizes the Helmholtz free energy when mass conservation is imposed. While both functionals are at a minimum at equilibrium, the Helmholtz free energy decreases monotonically with time in the grand-potential phase field model, whereas the grand potential does not. Minimizing the grand potential implies a different problem where a system can exchange mass with its surroundings at every point, leading to a condition of isochemical potential and invalidating mass conservation of the system. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_18864 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Nonequilibrium thermodynamic foundation of the grand-potential phase field model Zhang, Jin Warren, James A. Voorhees, Peter W. Statistical Mechanics Materials Science Computational Physics Choosing the correct free energy functional is critical when developing thermodynamically consistent phase field models. We show that the grand-potential phase field model minimizes the Helmholtz free energy when mass conservation is imposed. While both functionals are at a minimum at equilibrium, the Helmholtz free energy decreases monotonically with time in the grand-potential phase field model, whereas the grand potential does not. Minimizing the grand potential implies a different problem where a system can exchange mass with its surroundings at every point, leading to a condition of isochemical potential and invalidating mass conservation of the system. |
| title | Nonequilibrium thermodynamic foundation of the grand-potential phase field model |
| topic | Statistical Mechanics Materials Science Computational Physics |
| url | https://arxiv.org/abs/2409.18864 |