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- W2022276082 abstract "We develop a methodology for the calculation of surface free energies based on the probability distribution of a wandering interface. Using a simple extension of the $NpT$ sampling, we allow the interface area to randomly probe the available space and evaluate the surface free energy from histogram analysis and the corresponding average. The method is suitable for studying systems with either continuous or discontinuous potentials, as it does not require explicit evaluation of the virial. The proposed algorithm is compared with known results for the surface tension of Lennard-Jones and square well fluids, as well as for the interface tension of a bead-spring polymer model, and good agreement is found. We also calculate the interfacial tensions of freely jointed tangent hard sphere chains on athermal walls for a wide range of chain lengths and densities. The results are compared with three different theoretical approaches: scaled particle theory (SPT), Yu-Wu density functional theory, and an analytical approximation based on the latter approach. Whereas SPT only yields qualitative results, the last two approaches are found to yield very good agreement with simulations." @default.
- W2022276082 created "2016-06-24" @default.
- W2022276082 creator A5041825097 @default.
- W2022276082 creator A5063737736 @default.
- W2022276082 date "2007-06-29" @default.
- W2022276082 modified "2023-10-14" @default.
- W2022276082 title "Direct calculation of interfacial tensions from computer simulation: Results for freely jointed tangent hard sphere chains" @default.
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- W2022276082 cites W1992969209 @default.
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- W2022276082 doi "https://doi.org/10.1103/physreve.75.061609" @default.
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