Wetting of prototypical one- and two-dimensional systems: Thermodynamics and density functional theory.

Consider a two-dimensional capped capillary pore formed by capping two parallel planar walls with a third wall orthogonal to the two planar walls. This system reduces to a slit pore sufficiently far from the capping wall and to a single planar wall when the side walls are far apart. Not surprisingly, wetting of capped capillaries is related to wetting of slit pores and planar walls. For example, the wetting temperature of the capped capillary provides the boundary between first-order and continuous transitions to condensation. We present a numerical investigation of adsorption in capped capillaries of mesoscopic widths based on density functional theory. The fluid-fluid and fluid-substrate interactions are given by the pairwise Lennard-Jones potential. We also perform a parametric study of wetting in capped capillaries by a liquid phase by varying the applied chemical potential, temperature, and pore width. This allows us to construct surface phase diagrams and investigate the complicated interplay of wetting mechanisms specific to each system, in particular, the dependence of capillary wetting temperature on the pore width

Rigorous coherent-structure theory for falling liquid films: Viscous dispersion effects on bound-state formation and self-organization

We examine the interaction of two-dimensional solitary pulses on falling liquid films. We make use of the second-order model derived by Ruyer-Quil and Manneville [Eur. Phys. J. B 6, 277 (1998); Eur. Phys. J. B 15, 357 (2000); Phys. Fluids 14, 170 (2002)] by combining the long-wave approximation with a weighted residuals technique. The model includes (second-order) viscous dispersion effects which originate from the streamwise momentum equation and tangential stress balance. These effects play a dispersive role that primarily influences the shape of the capillary ripples in front of the solitary pulses. We show that different physical parameters, such as surface tension and viscosity, play a crucial role in the interaction between solitary pulses giving rise eventually to the formation of bound states consisting of two or more pulses separated by well-defined distances and travelling at the same velocity. By developing a rigorous coherent-structure theory, we are able to theoretically predict the pulse-separation distances for which bound states are formed. Viscous dispersion affects the distances at which bound states are observed. We show that the theory is in very good agreement with computations of the second-order model. We also demonstrate that the presence of bound states allows the film free surface to reach a self-organized state that can be statistically described in terms of a gas of solitary waves separated by a typical mean distance and characterized by a typical density

The asymptotics of the moving contact line: cracking an old nut

This article has been published in a revised form in Journal of Fluid Mechanics https://doi.org/10.1017/jfm.2014.702. This version is free to view and download for private research and study only. Not for re-distribution, re-sale or use in derivative works. © Cambridge University Press.For contact line motion where the full Stokes flow equations hold, full matched asymptotic solutions using slip models have been obtained for droplet spreading and more general geometries. These solutions to the singular perturbation problem in the slip length, however, all involve matching through an intermediate region that is taken to be separate from the outer-inner regions. Here, we show that the intermediate region is in fact an overlap region representing extensions of both the outer and the inner region, allowing direct matching to proceed. In particular, we investigate in detail how a previously seen result of the matching of the cubes of the free surface slope is justified in the lubrication setting. We also extend this two-region direct matching to the more general Stokes flow case, offering a new perspective on the asymptotics of the moving contact line problem

A new framework for extracting coarse-grained models from time series with multiscale structure

In many applications it is desirable to infer coarse-grained models from observational data. The observed process often corresponds only to a few selected degrees of freedom of a high-dimensional dynamical system with multiple time scales. In this work we consider the inference problem of identifying an appropriate coarse-grained model from a single time series of a multiscale system. It is known that estimators such as the maximum likelihood estimator or the quadratic variation of the path estimator can be strongly biased in this setting. Here we present a novel parametric inference methodology for problems with linear parameter dependency that does not suffer from this drawback. Furthermore, we demonstrate through a wide spectrum of examples that our methodology can be used to derive appropriate coarse-grained models from time series of partial observations of a multiscale system in an effective and systematic fashion

Recent advances in the evolution of interfaces: thermodynamics, upscaling, and universality

We consider the evolution of interfaces in binary mixtures permeating strongly heterogeneous systems such as porous media. To this end, we first review available thermodynamic formulations for binary mixtures based on \emph{general reversible-irreversible couplings} and the associated mathematical attempts to formulate a \emph{non-equilibrium variational principle} in which these non-equilibrium couplings can be identified as minimizers. Based on this, we investigate two microscopic binary mixture formulations fully resolving heterogeneous/perforated domains: (a) a flux-driven immiscible fluid formulation without fluid flow; (b) a momentum-driven formulation for quasi-static and incompressible velocity fields. In both cases we state two novel, reliably upscaled equations for binary mixtures/multiphase fluids in strongly heterogeneous systems by systematically taking thermodynamic features such as free energies into account as well as the system's heterogeneity defined on the microscale such as geometry and materials (e.g. wetting properties). In the context of (a), we unravel a \emph{universality} with respect to the coarsening rate due to its independence of the system's heterogeneity, i.e. the well-known ${\cal O}(t^{1/3})$-behaviour for homogeneous systems holds also for perforated domains. Finally, the versatility of phase field equations and their \emph{thermodynamic foundation} relying on free energies, make the collected recent developments here highly promising for scientific, engineering and industrial applications for which we provide an example for lithium batteries