Reconstructing Interaction Potentials in Thin Films from Real-Space Images
Autor: | Nikolai Severin, Jonas Gienger, Jürgen P. Rabe, Igor M. Sokolov |
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Jazyk: | angličtina |
Rok vydání: | 2015 |
Předmět: |
Materials science
Statistical Mechanics (cond-mat.stat-mech) business.industry Monte Carlo method Inverse FOS: Physical sciences 02 engineering and technology 021001 nanoscience & nanotechnology Space (mathematics) 01 natural sciences Heat capacity Optics Physics - Data Analysis Statistics and Probability 0103 physical sciences Scanning Force Microscopy Thin film 010306 general physics 0210 nano-technology business Data Analysis Statistics and Probability (physics.data-an) Condensed Matter - Statistical Mechanics |
Popis: | We demonstrate that an inverse Monte Carlo approach allows to reconstruct effective interaction potentials from real-space images. The method is exemplified on monomolecular ethanol-water films imaged with scanning force microscopy (SFM), 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. Accepted for publication as a Regular Article in Physical Review E; 12 pages, 12 figures |
Databáze: | OpenAIRE |
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