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  Thermodynamically consistent phase-field theory including nearest-neighbor pair correlations

Blom, K., Ziethen, N., Zwicker, D., & Godec, A. (2023). Thermodynamically consistent phase-field theory including nearest-neighbor pair correlations. Physical Review Research, 5(1): 013135. doi:10.1103/PhysRevResearch.5.013135.

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PhysRevResearch.5.013135.pdf (Publisher version), 3MB
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 Creators:
Blom, Kristian1, Author           
Ziethen, Noah, Author
Zwicker, David, Author
Godec, Aljaž1, Author           
Affiliations:
1Research Group of Mathematical Biophysics, Max Planck Institute for Multidisciplinary Sciences, Max Planck Society, ou_3350133              

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 Abstract: Most of our current understanding of phase separation is based on ideas that disregard correlations. Here we illuminate unexpected effects of correlations on the structure and thermodynamics of interfaces and in turn phase separation, which are decisive in systems with strong interactions. Evaluating the continuum limit of the Ising model on the Bethe-Guggenheim level, we derive a Cahn-Hilliard free energy that takes into account pair correlations. For a one-dimensional interface in a strip geometry, these are shown to give rise to an effective interface broadening at interaction strengths near and above the thermal energy, which is verified in the Ising model. Interface broadening is the result of an entropy-driven interface delocalization, which is not accounted for in the widely adopted mean field theory. Pair correlations are required for thermodynamic consistency as they enforce a thermodynamically optimal local configuration of defects and profoundly affect nucleation and spinodal decomposition at strong coupling.

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Language(s): eng - English
 Dates: 2023-02-22
 Publication Status: Published online
 Pages: -
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 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevResearch.5.013135
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Project name : The financial support from the German Research Foundation (DFG) through the Emmy Noether Program Grant No. GO 2762/1-2 (to A.G.) and Project No. ZW 222/3-1 (to D.Z.), and the Max Planck Society (to D.Z. and K.B.), in case of K.B. in the form of an IMPRS fellowship are gratefully acknowledged.
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Title: Physical Review Research
Source Genre: Journal
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Publ. Info: College Park, Maryland, United States : American Physical Society (APS)
Pages: - Volume / Issue: 5 (1) Sequence Number: 013135 Start / End Page: - Identifier: ISSN: 2643-1564
CoNE: https://pure.mpg.de/cone/journals/resource/2643-1564