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Register a new userHydrokinetic simulations of nanoscopic precursor films in rough channels
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We report on simulations of capillary filling of high-wetting fluids in nano-channels with and without obstacles. We use atomistic (molecular dynamics) and hydrokinetic (lattice-Boltzmann) approaches which point out clear evidence of the formation of thin precursor films, moving ahead of the main capillary front. The dynamics of the precursor films is found to obey a square-root law as the main capillary front, z^2(t) ~ t, although with a larger prefactor, which we find to take the same value for the different geometries (2D-3D) under inspection. The two methods show a quantitative agreement which indicates that the formation and propagation of thin precursors can be handled at a mesoscopic/hydrokinetic level. This can be considered as a validation of the Lattice-Boltzmann (LB) method and opens the possibility of using hydrokinetic methods to explore space-time scales and complex geometries of direct experimental relevance. Then, LB approach is used to study the fluid behaviour in a nano-channel when the precursor film encounters a square obstacle. A complete parametric analysis is performed which suggests that thin-film precursors may have an important influence on the efficiency of nanochannel-coating strategies.
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We present hydrokinetic Lattice Boltzmann and Molecular Dynamics simulations of capillary filling of high-wetting fluids in nano-channels, which provide clear evidence of the formation of thin precursor films, moving ahead of the main capillary front. The dynamics of the precursor films is found to obey the Lucas-Washburn law as the main capillary front, z2(t) proportional to t, although with a larger prefactor, which we find to take the same value for both geometries under inspection. Both hydrokinetic and Molecular Dynamics approaches indicate a precursor film thickness of the order of one tenth of the capillary diameter. The quantitative agreement between the hydrokinetic and atomistic methods indicates that the formation and propagation of thin precursors can be handled at a mesoscopic/hydrokinetic level, thereby opening the possibility of using hydrokinetic methods to space-time scales and complex geometries of direct experimental relevance.
We present the results of large scale simulations of 4th order nonlinear partial differential equations of dif- fusion type that are typically encountered when modeling dynamics of thin fluid films on substrates. The simulations are based on the alternate direction implicit (ADI) method, with the main part of the compu- tational work carried out in the GPU computing environment. Efficient and accurate computations allow for simulations on large computational domains in three spatial dimensions (3D) and for long computational times. We apply the methods developed to the particular problem of instabilities of thin fluid films of nanoscale thickness. The large scale of the simulations minimizes the effects of boundaries, and also allows for simulating domains of the size encountered in published experiments. As an outcome, we can analyze the development of instabilities with an unprecedented level of detail. A particular focus is on analyzing the manner in which instability develops, in particular regarding differences between spinodal and nucleation types of dewetting for linearly unstable films, as well as instabilities of metastable films. Simulations in 3D allow for consideration of some recent results that were previously obtained in the 2D geometry (J. Fluid Mech. 841, 925 (2018)). Some of the new results include using Fourier transforms as well as topological invariants (Betti numbers) to distinguish the outcomes of spinodal and nucleation types of instabilities, describing in precise terms the complex processes that lead to the formation of satellite drops, as well as distinguishing the shape of the evolving film front in linearly unstable and metastable regimes. We also discuss direct comparison between simulations and available experimental results for nematic liquid crystal and polymer films.
We investigate the wave-optical light scattering properties of deformed thin circular films of constant thickness using the discrete-dipole approximation. Effects on the intensity distribution of the scattered light due to different statistical roughness models, model dependant roughness parameters, and uncorrelated random small-scale porosity of the inhomogeneous medium are studied. The usability of discrete-dipole approximation to rough-surface scattering problems is evaluated by considering thin films as computationally feasible rough-surface analogs. The effects due to small-scale inhomogeneity of the scattering medium are compared with the analytic approximation by Maxwell Garnett and the results are found to agree with the approximation.
We study the hydrodynamic coupling between particles and solid, rough boundaries characterized by random surface textures. Using the Lorentz reciprocal theorem, we derive analytical expressions for the grand mobility tensor of a spherical particle and find that roughness-induced velocities vary nonmonotonically with the characteristic wavelength of the surface. In contrast to sedimentation near a planar wall, our theory predicts continuous particle translation transverse and perpendicular to the applied force. Most prominently, this motion manifests itself in a variance of particle displacements that grows quadratically in time along the direction of the force. This increase is rationalized by surface roughness generating particle sedimentation closer to or farther from the surface, which entails a significant variability of settling velocities.
We show how the capillary filling of microchannels is affected by posts or ridges on the sides of the channels. Ridges perpendicular to the flow direction introduce contact line pinning which slows, or sometimes prevents, filling; whereas ridges parallel to the flow provide extra surface which may enhances filling. Patterning the microchannel surface with square posts has little effect on the ability of a channel to fill for equilibrium contact angle $theta_e lesssim 30^{mathrm{o}}$. For $theta_e gtrsim 60^{mathrm{o}}$, however, even a small number of posts can pin the advancing liquid front.
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