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- W1978964469 abstract "We discuss the feasibility of a hierarchical protocol whereby the description and prediction of adsorbed fluids in confined systems at the mesoscopic scale is achieved by use of interface potentials that are obtained from raw molecular simulation data. Starting from a microscopic description of a fluid’s interface on a flat substrate, we attempt to extract the minimum information that is required in order to predict the behavior of that fluid at larger length scales from coarse grained surface Hamiltonians. A critical assessment of this procedure hinges on controversial aspects of wetting behavior and more generally on the meaning of metastability and instability of thermodynamic systems." @default.
- W1978964469 created "2016-06-24" @default.
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- W1978964469 date "2011-08-01" @default.
- W1978964469 modified "2023-10-16" @default.
- W1978964469 title "Computer simulation of interface potentials: Towards a first principle description of complex interfaces?" @default.
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- W1978964469 doi "https://doi.org/10.1140/epjst/e2011-01447-6" @default.
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