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A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

Materials Science · Physics 2009-11-10 David Cheung , Friederike Schmid

We have employed the Density Functional Theory formalism to investigate the nematic-isotropic capillary transitions of a nematogen confined by walls that favor antagonist orientations to the liquid crystal molecules (hybrid cell). We…

Statistical Mechanics · Physics 2009-11-10 I. Rodriguez-Ponce , J. M. Romero-Enrique , L. F. Rull

In the framework of a field theoretical approach we study Maier-Saupe nematogenic fluid in contact with a hard wall. The pair interaction potential of the considered model consists of an isotropic and an anisotropic Yukawa terms. In the…

Soft Condensed Matter · Physics 2013-03-25 M. Holovko , I. Kravtsiv , D. di Caprio

Based on density-functional theory we analyze the full phase diagram, the occurrence of long-ranged orientational order, and the structural properties of dipolar fluids. As a model system we consider the Stockmayer fluid that consists of…

Soft Condensed Matter · Physics 2009-09-25 B. Groh , S. Dietrich

A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer…

Soft Condensed Matter · Physics 2015-06-18 René Wittmann , Klaus Mecke

Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…

Statistical Mechanics · Physics 2008-08-20 James F. Lutsko

Within the Onsager theory we study free planar isotropic-nematic interfaces in binary mixtures of hard rods. For sufficiently different particle shapes the bulk phase diagrams of these mixtures exhibit a triple point, where an isotropic (I)…

Soft Condensed Matter · Physics 2007-05-23 Kostya Shundyak , Rene van Roij

The wetting of a charged wedge-like wall by an electrolyte solution is investigated by means of classical density functional theory. As in other studies on wedge wetting, this geometry is considered as the most simple deviation from a…

Soft Condensed Matter · Physics 2018-05-25 Maximilian Mußotter , Markus Bier

The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio…

Statistical Mechanics · Physics 2007-06-06 Alexandr Malijevsky , Santos B. Yuste , Andres Santos , Mariano Lopez de Haro

The density profiles and corresponding order parameters of the hard ellipsoids confined between two hard walls and also in contact with a single hard wall are studied using the density functional theory. The Hyper-Netted Chain (HNC)…

Soft Condensed Matter · Physics 2017-12-12 M. Moradi , B. Binaei Ghotbabadi , R. Aliabadi

he contact angle of a liquid droplet on a surface under partial wetting conditions differs for a nanoscopically rough or periodically corrugated surface from its value for a perfectly flat surface. Wenzel's relation attributes this…

Soft Condensed Matter · Physics 2020-06-24 Sergei A. Egorov , Kurt Binder

The effect of cylindrical confinement on the phase behaviour of a system of parallel hard rods is studied using Onsager's second virial theory. The hard rods are represented as hard cylinders of diameter $D$ and length $L$, while the…

Soft Condensed Matter · Physics 2022-06-07 Szabolcs Varga , Yuri Martinez-Raton , Enrique Velasco

We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated…

Soft Condensed Matter · Physics 2025-01-29 Florian Sammüller , Matthias Schmidt , Robert Evans

Nonequilibrium steady states in an open system connecting two reservoirs of platelike colloidal particles are investigated by means of a recently proposed phenomenological dynamic density functional theory [M. Bier and R. van Roij, Phys.…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Rene van Roij

A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishing thickness. Geometrical weight functions that are…

Soft Condensed Matter · Physics 2009-11-11 Ansgar Esztermann , Hendrik Reich , Matthias Schmidt

The properties of a hard-sphere fluid in contact with hard spherical and cylindrical walls are studied. Rosenfeld's density functional theory (DFT) is applied to determine the density profile and surface tension $\gamma$ for wide ranges of…

Statistical Mechanics · Physics 2007-05-23 P. Bryk , R. Roth , K. R. Mecke , S. Dietrich

We use density-functional theory, of the fundamental-measure type, to study the relative stability of the biaxial nematic phase, with respect to non-uniform phases such as smectic and columnar, in fluids made of hard board-like particles…

Soft Condensed Matter · Physics 2017-09-13 Yuri Martinez-Raton , Szabolcs Varga , Enrique Velasco

Vertically vibrated rod-shaped granular materials confined to quasi-2D containers self organize into distinct patterns. We find, consistent with theory and simulation, a density dependent isotropic-nematic transition. Along the walls, rods…

Soft Condensed Matter · Physics 2009-11-11 J. Galanis , D. Harries , D. L. Sackett , W. Losert , R. Nossal

In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme…

Statistical Mechanics · Physics 2015-07-15 Umberto Marini Bettolo Marconi , Simone Melchionna

Colloidal particles that are confined to an interface such as the air-water interface are an example of a two-dimensional fluid. Such dispersions have been observed to spontaneously form cluster and stripe morphologies in certain systems…

Soft Condensed Matter · Physics 2008-09-17 A. J. Archer