102 research outputs found
Disjoining Potential and Spreading of Thin Liquid Layers in the Diffuse Interface Model Coupled to Hydrodynamics
The hydrodynamic phase field model is applied to the problem of film
spreading on a solid surface. The disjoining potential, responsible for
modification of the fluid properties near a three-phase contact line, is
computed from the solvability conditions of the density field equation with
appropriate boundary conditions imposed on the solid support. The equation
describing the motion of a spreading film are derived in the lubrication
approximation. In the case of quasi-equilibrium spreading, is shown that the
correct sharp-interface limit is obtained, and sample solutions are obtained by
numerical integration. It is further shown that evaporation or condensation may
strongly affect the dynamics near the contact line, and accounting for kinetic
retardation of the interphase transport is necessary to build up a consistent
theory.Comment: 14 pages, 5 figures, to appear in PR
Hydrodynamic theory of de-wetting
A prototypical problem in the study of wetting phenomena is that of a solid
plunging into or being withdrawn from a liquid bath. In the latter, de-wetting
case, a critical speed exists above which a stationary contact line is no
longer sustainable and a liquid film is being deposited on the solid.
Demonstrating this behavior to be a hydrodynamic instability close to the
contact line, we provide the first theoretical explanation of a classical
prediction due to Derjaguin and Levi: instability occurs when the outer, static
meniscus approaches the shape corresponding to a perfectly wetting fluid
Hydrodynamic bubble coarsening in off-critical vapour-liquid phase separation
Late-stage coarsening in off-critical vapour-liquid phase separation is
re-examined. In the limit of bubbles of vapour distributed throughout a
continuous liquid phase, it is argued that coarsening proceeds via inertial
hydrodynamic bubble collapse. This replaces the Lifshitz-Slyozov-Wagner
mechanism seen in binary liquid mixtures. The arguments are strongly supported
by simulations in two dimensions using a novel single-component soft sphere
fluid.Comment: 5 pages, 3 figures, revtex3.
First-Principles Calculations of the Electronic and Structural Properties of GaSb
In this paper, we carried out first-principles calculations in order to investigate the structural and electronic properties of the binary compound gallium antimonide (GaSb). This theoretical study was carried out using the Density Functional Theory within the plane-wave pseudopotential method. The effects ofexchange and correlation (XC) were treated using the functional Local Density Approximation (LDA), generalized gradient approximation (GGA): Perdew–Burke–Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang91 (PW91), revised Perdew–Burke–Ernzerhof (rPBE), Armiento–Mattson 2005 (AM05) and meta-generalized gradient approximation (meta-GGA): Tao–Perdew– Staroverov–Scuseria (TPSS) and revised Tao–Perdew–Staroverov–Scuseria (RTPSS) and modified Becke-Johnson (MBJ). We calculated the densities of state (DOS) and band structure with different XC potentials identified and compared them with the theoretical and experimental results reported in the literature. It was discovered that functional: LDA, PBEsol, AM05 and RTPSS provide the best results to calculate the lattice parameters (a) and bulk modulus (B0); while for the cohesive energy (Ecoh), functional: AM05, RTPSS and PW91 are closer to the values obtained experimentally. The MBJ, Rtpss and AM05 values found for the band gap energy is slightly underestimated with those values reported experimentally
Numerical Investigation of Boundary Conditions for Moving Contact Line Problems
When boundary conditions arising from the usual hydrodynamic assumptions are applied, analyses of dynamic wetting processes lead to a well-known nonintegrable stress singularity at the dynamic contact line, necessitating new ways to model this problem. In this paper, numerical simulations for a set of representative problems are used to explore the possibility of providing material boundary conditions for predictive models of inertialess moving contact line processes. The calculations reveal that up to Capillary number Ca=0.15, the velocity along an arc of radius 10Li (Li is an inner, microscopic length scale! from the dynamic contact line is independent of the macroscopic length scale a for a.103Li , and compares well to the leading order analytical ‘‘modulated-wedge’’ flow field [R. G. Cox, J. Fluid Mech. 168, 169 (1986)] for Capillary number Ca,0.1. Systematic deviations between the numerical and analytical velocity field occur for 0.1168, 169 (1986)] is used as a boundary condition along an arc of radius R=10-2a from the dynamic contact line, agree well with those using two inner slip models for Ca\u3c0.1, with a breakdown at higher Ca. Computations in a cylindrical geometry reveal the role of azimuthal curvature effects on velocity profiles in this vicinity of dynamic contact lines. These calculations show that over an appropriate range of Ca, the velocity field and the meniscus slope in a geometry-independent region can potentially serve as material boundary conditions for models of processes containing dynamic contact lines
Front pinning in capillary filling of chemically coated channels
The dynamics of capillary filling in the presence of chemically coated
heterogeneous boundaries is investigated, both theoretically and numerically.
In particular, by mapping the equations of front motion onto the dynamics of a
dissipative driven oscillator, an analytical criterion for front pinning is
derived, under the condition of diluteness of the coating spots. The criterion
is tested against two dimensional Lattice Boltzmann simulations, and found to
provide satisfactory agreement as long as the width of the front interface
remains much thinner than the typical heterogeneity scale of the chemical
coating.Comment: 7 pages, 4 figures, submitted to Physical Review
Relaxation of surface tension in the liquid-solid interfaces of Lennard-Jones liquids
We have established the surface tension relaxation time in the liquid-solid interfaces of Lennard-Jones (LJ) liquids by means of direct measurements in molecular dynamics (MD) simulations. The main result is that the relaxation time is found to be almost independent of the molecular structures and viscosity of the liquids (at seventy-fold change) used in our study and lies in such a range that in slow hydrodynamic motion the interfaces are expected to be at equilibrium. The implications of our results for the modelling of dynamic wetting processes and interpretation of dynamic contact angle data are discussed
Similarity solutions for unsteady shear-stress-driven flow of Newtonian and power-law fluids : slender rivulets and dry patches
Unsteady flow of a thin film of a Newtonian fluid or a non-Newtonian power-law fluid with power-law index N driven by a constant shear stress applied at the free surface, on a plane inclined at an angle α to the horizontal, is considered. Unsteady similarity solutions representing flow of slender rivulets and flow around slender dry patches are obtained. Specifically, solutions are obtained for converging sessile rivulets (0 < α < π/2) and converging dry patches in a pendent film (π/2 < α < π), as well as for diverging pendent rivulets and diverging dry patches in a sessile film. These solutions predict that at any time t, the rivulet and dry patch widen or narrow according to |x|3/2, and the film thickens or thins according to |x|, where x denotes distance down the plane, and that at any station x, the rivulet and dry patch widen or narrow like |t|−1, and the film thickens or thins like |t|−1, independent of N
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