Reconstructing interaction potentials in thin films from real-space images

We demonstrate that an inverse Monte Carlo approach allows one to reconstruct effective interaction potentials from real-space images. The method is exemplified on monomolecular ethanol-water films imaged with scanning force microscopy, which provides the spatial distribution of the molecules. Direc...

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Bibliographic Details
Published in:Physical review. E 2016-04, Vol.93 (4), p.043306-043306, Article 043306
Main Authors: Gienger, Jonas, Severin, Nikolai, Rabe, Jürgen P, Sokolov, Igor M
Format: Article
Language:English
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Summary:We demonstrate that an inverse Monte Carlo approach allows one to reconstruct effective interaction potentials from real-space images. The method is exemplified on monomolecular ethanol-water films imaged with scanning force microscopy, which provides the spatial distribution of the molecules. Direct Monte Carlo simulations with the reconstructed potential allow for obtaining characteristics of the system which are unavailable in the experiment, such as the heat capacity of the monomolecularly thin film, and for a prediction of the critical temperature of the demixing transition.
ISSN:2470-0045
2470-0053
DOI:10.1103/physreve.93.043306