Effect of surface roughness on rate-dependent slip in simple fluids

Molecular dynamics simulations are used to investigate the influence of molecular-scale surface roughness on the slip behavior in thin liquid films. The slip length increases almost linearly with the shear rate for atomically smooth rigid walls and incommensurate structures of the liquid/solid interface. The thermal fluctuations of the wall atoms lead to an effective surface roughness, which makes the slip length weakly dependent on the shear rate. With increasing the elastic stiffness of the wall, the surface roughness smoothes out and the strong rate dependence is restored again. Both periodically and randomly corrugated rigid surfaces reduce the slip length and its shear rate dependence.Comment: 15 pages, 5 figures; submitted to J. Chem. Phy

Multiscale lattice Boltzmann approach to modeling gas flows

For multiscale gas flows, kinetic-continuum hybrid method is usually used to balance the computational accuracy and efficiency. However, the kinetic-continuum coupling is not straightforward since the coupled methods are based on different theoretical frameworks. In particular, it is not easy to recover the non-equilibrium information required by the kinetic method which is lost by the continuum model at the coupling interface. Therefore, we present a multiscale lattice Boltzmann (LB) method which deploys high-order LB models in highly rarefied flow regions and low-order ones in less rarefied regions. Since this multiscale approach is based on the same theoretical framework, the coupling precess becomes simple. The non-equilibrium information will not be lost at the interface as low-order LB models can also retain this information. The simulation results confirm that the present method can achieve model accuracy with reduced computational cost

Motion of nanodroplets near edges and wedges

Nanodroplets residing near wedges or edges of solid substrates exhibit a disjoining pressure induced dynamics. Our nanoscale hydrodynamic calculations reveal that non-volatile droplets are attracted or repelled from edges or wedges depending on details of the corresponding laterally varying disjoining pressure generated, e.g., by a possible surface coating.Comment: 12 pages, 7 figure

Diffusion Enhancement in Core-softened fluid confined in nanotubes

We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the diffusion of liquid water. A series of $NpT$ Molecular Dynamics simulations for this two length scales fluid confined in a nanotube were performed. We obtain that the diffusion coefficient increases with the increase of the nanotube radius for wide channels as expected for normal fluids. However, for narrow channels, the confinement shows an enhancement in the diffusion coefficient when the nanotube radius decreases. This behavior, observed for water, is explained in the framework of the two length scales potential.Comment: 17 pages, 8 figures, accept for publication at J. Chem. Phy

A simple interpretation of quantum mirages

In an interesting new experiment the electronic structure of a magnetic atom adsorbed on the surface of Cu(111), observed by STM, was projected into a remote location on the same surface. The purpose of the present paper is to interpret this experiment with a model Hamiltonian, using ellipses of the size of the experimental ones, containing about 2300 atoms. The charge distribution for the different wavefunctions is analyzed, in particular, for those with energy close to the Fermi energy of copper Ef. Some of them show two symmetric maxima located on the principal axis of the ellipse but not necessarily at the foci. If a Co atom is adsorbed at the site where the wavefunction with energy $E_F$ has a maximum and the interaction is small, the main effect of the adsorbed atom will be to split this particular wavefunction in two. The total charge density will remain the same but the local density of states will present a dip at Ef at any site where the charge density is large enough. We relate the presence of this dip to the observation of quantum mirages. Our interpretation suggests that other sites, apart from the foci of the ellipses, can be used for projecting atomic images and also indicates the conditions for other non magnetic adsorbates to produce mirages.Comment: 3 pages, 3 Fig

Kolmogorov turbulence in a random-force-driven Burgers equation

The dynamics of velocity fluctuations, governed by the one-dimensional Burgers equation, driven by a white-in-time random force with the spatial spectrum \overline{|f(k)|^2}\proptok^{-1}, is considered. High-resolution numerical experiments conducted in this work give the energy spectrum $E(k)\propto k^{-\beta}$ with $\beta =5/3\pm 0.02$. The observed two-point correlation function $C(k,\omega)$ reveals $\omega\propto k^z$ with the "dynamical exponent" $z\approx 2/3$. High-order moments of velocity differences show strong intermittency and are dominated by powerful large-scale shocks. The results are compared with predictions of the one-loop renormalized perturbation expansion.Comment: 13 LaTeX pages, psfig.sty macros, Phys. Rev. E 51, R2739 (1995)

Multi-fidelity Gaussian process regression for prediction of random fields

We propose a new multi-fidelity Gaussian process regression (GPR) approach for prediction of random fields based on observations of surrogate models or hierarchies of surrogate models. Our method builds upon recent work on recursive Bayesian techniques, in particular recursive co-kriging, and extends it to vector-valued fields and various types of covariances, including separable and non-separable ones. The framework we propose is general and can be used to perform uncertainty propagation and quantification in model-based simulations, multi-fidelity data fusion, and surrogate-based optimization. We demonstrate the effectiveness of the proposed recursive GPR techniques through various examples. Specifically, we study the stochastic Burgers equation and the stochastic Oberbeck\u2013Boussinesq equations describing natural convection within a square enclosure. In both cases we find that the standard deviation of the Gaussian predictors as well as the absolute errors relative to benchmark stochastic solutions are very small, suggesting that the proposed multi-fidelity GPR approaches can yield highly accurate results

Implementation of on-site velocity boundary conditions for D3Q19 lattice Boltzmann

On-site boundary conditions are often desired for lattice Boltzmann simulations of fluid flow in complex geometries such as porous media or microfluidic devices. The possibility to specify the exact position of the boundary, independent of other simulation parameters, simplifies the analysis of the system. For practical applications it should allow to freely specify the direction of the flux, and it should be straight forward to implement in three dimensions. Furthermore, especially for parallelized solvers it is of great advantage if the boundary condition can be applied locally, involving only information available on the current lattice site. We meet this need by describing in detail how to transfer the approach suggested by Zou and He to a D3Q19 lattice. The boundary condition acts locally, is independent of the details of the relaxation process during collision and contains no artificial slip. In particular, the case of an on-site no-slip boundary condition is naturally included. We test the boundary condition in several setups and confirm that it is capable to accurately model the velocity field up to second order and does not contain any numerical slip.Comment: 13 pages, 4 figures, revised versio