Symmetry breaking in confined fluids

Ruckenstein, Eli; Berim, Gersh O.

doi:10.1016/j.cis.2010.01.008

Cited by 7 publications

(5 citation statements)

References 103 publications

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“…Asymmetric profiles in symmetric pores have been previously found in three-dimensional mixtures of hard rods [38] and monocomponent and binary mixtures with soft interactions, see e.g. [39][40][41][42]. The states shown in (b) and (c) are probably not stable because they have larger interfaces than the one obtained by gradually increasing N (a).…”

Section: A Slab Geometry: Homeotropic Cellmentioning

confidence: 77%

Confinement of two-dimensional rods in slit pores and square cavities

Geigenfeind

Rosenzweig

Schmidt

et al. 2015

The Journal of Chemical Physics

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Using Monte Carlo simulation, we analyse the behaviour of two-dimensional hard rods in four different types of geometric confinement: (i) a slit pore where the particles are confined between two parallel walls with homeotropic anchoring; (ii) a hybrid slit pore formed by a planar and a homeotropic wall; square cavities that frustrate the orientational order by imposing either (iii) homeotropic or (iv) planar wall anchoring. We present results for the state diagram as a function of the packing fraction and the degree of confinement. Under extreme confinement, unexpected states appear with lower symmetries than those of the corresponding stable states in bulk, such as the formation of states that break the anchoring constraints or the symmetry imposed by the surfaces. In both types of square cavities, the particles form disclinations at intermediate densities. At high densities, however, the elastic stress is relaxed via the formation of domain walls where the director rotates abruptly by 90°.

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Section: A Slab Geometry: Homeotropic Cellmentioning

confidence: 77%

Confinement of two-dimensional rods in slit pores and square cavities

Geigenfeind

Rosenzweig

Schmidt

et al. 2015

The Journal of Chemical Physics

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“…In the simplest approximation for the free-energy functional for hard spheres, the so-called local density approximation (LDA), the functional is obtained by allowing for the r-dependence of the number density in Eq. (8) and using the expression, F LDA hs [ρ] = drρ (r) ψ (ρ (r)). Such an approach does not account properly for the repulsive interactions, which play a defining role in forming the fluid-wall interface as well as the shape of the density profile near the wall.…”

Section: Free-energy Functionalmentioning

confidence: 99%

“…Depending on the temperature, T, and the pressure in the bulk of the fluid, P, the coverage of the wall with the liquid-like film can vary from a few molecular diameters up to macroscopic length-scales, as the bulk pressure approaches that of the saturated vapor. The understanding of wetting by liquid film has important implications to other more complex problems of wetting in different geometries, [1][2][3][4][5][6][7][8] as well as droplet formation. 9,10 As was first pointed out by Cahn 11 using heuristic arguments and later calculated for the first time by Ebner and Saam, 12 there can exist several possible scenarios regarding the wetting of flat substrates by a fluid.…”

Section: Introductionmentioning

confidence: 99%

Spectral methods for the equations of classical density-functional theory: Relaxation dynamics of microscopic films

Yatsyshin

Savva

Kalliadasis

2012

The Journal of Chemical Physics

104

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We propose a numerical scheme based on the Chebyshev pseudo-spectral collocation method for solving the integral and integro-differential equations of the density-functional theory and its dynamic extension. We demonstrate the exponential convergence of our scheme, which typically requires much fewer discretization points to achieve the same accuracy compared to conventional methods. This discretization scheme can also incorporate the asymptotic behavior of the density, which can be of interest in the investigation of open systems. Our scheme is complemented with a numerical continuation algorithm and an appropriate time stepping algorithm, thus constituting a complete tool for an efficient and accurate calculation of phase diagrams and dynamic phenomena. To illustrate the numerical methodology, we consider an argon-like fluid adsorbed on a Lennard-Jones planar wall. First, we obtain a set of phase diagrams corresponding to the equilibrium adsorption and compare our results obtained from different approximations to the hard sphere part of the free energy functional. Using principles from the theory of sub-critical dynamic phase field models, we formulate the time-dependent equations which describe the evolution of the adsorbed film. Through dynamic considerations we interpret the phase diagrams in terms of their stability. Simulations of various wetting and drying scenarios allow us to rationalize the dynamic behavior of the system and its relation to the equilibrium properties of wetting and drying.

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“…Updated studies are largely available in different sectors, from fluid dynamics (see Ref. and related references) and the evolution of the living forms to the fundamental emergency of chiral molecules in racemic compositions…”

Section: Introductionmentioning

confidence: 99%

“…Updated studies are largely available in different sectors, from fluid dynamics (see Ref. [3] and related references) and the evolution of the living forms [4] to the fundamental emergency of chiral molecules in racemic compositions. [5] In finite systems, like arrays made of Josephson junction, SSB effects have been also clearly identified and very often related to specific variations of the topological structure when systems reach an "optimum size" thresholds.…”

Section: Introductionmentioning

confidence: 99%

Predicting bondons by Goldstone mechanism with chemical topological indices

Putz

Ori

2014

Int J of Quantum Chemistry

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The Goldstone symmetry breaking algorithm is applied on ϕ2 and ϕ4 chemical field contributions weighted, respectively, by the sphericity and extreme‐sphericity topological indices to provide for stable chemical bonding in the high temperature regime, the typical mass for the bondon, and the associated quantum boson. The method is applied to a representative series of polycyclic aromatic hydrocarbons providing an aromaticity hierarchy comparable with the scale‐based on the chemical hardness; present calculations on the bondonic mass place the physical existence of that bosonic‐bondonic quantum particle in the range of a few GeV and 10−22 s, as typical for negatively charged massive bosons. © 2014 Wiley Periodicals, Inc.

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Symmetry breaking in confined fluids

Cited by 7 publications

References 103 publications

Confinement of two-dimensional rods in slit pores and square cavities

Confinement of two-dimensional rods in slit pores and square cavities

Spectral methods for the equations of classical density-functional theory: Relaxation dynamics of microscopic films

Predicting bondons by Goldstone mechanism with chemical topological indices

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