A new method for Ewald summation in planar/slablike geometry, i.e. systems where periodicity applies in two dimensions and the last dimension is "free" (2P), is presented. We employ a spectral representation in terms of both Fourier series and integrals. This allows us to concisely derive both the 2P Ewald sum and a fast PME-type method suitable for large-scale computations. The primary results are: (i) close and illuminating connections between the 2P problem and the standard Ewald sum and associated fast methods for full periodicity; (ii) a fast, O(N log N), and spectrally accurate PME-type method for the 2P k-space Ewald sum that uses vastly less memory than traditional PME methods; (iii) errors that decouple, such that parameter selection is simplified. We give analytical and numerical results to support this.
The flow behavior of many multiphase flow applications is greatly influenced by wetting properties and the presence of surfactants. We present a numerical method for two-phase flow with insoluble surfactants and contact line dynamics in two dimensions. The method is based on decomposing the interface between two fluids into segments, which are explicitly represented on a local Eulerian grid. It provides a natural framework for treating the surfactant concentration equation, which is solved locally on each segment. An accurate numerical method for the coupled interface/surfactant system is given. The system is coupled to the Navier-Stokes equations through the Immersed Boundary Method, and we discuss the issue of force regularization in wetting problems, when the interface touches the boundary of the domain. We use the method to illustrate how the presence of surfactants influences the behavior of free and wetting drops.
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