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A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface.…

Soft Condensed Matter · Physics 2012-06-27 Andreas Härtel , Martin Oettel , Roberto E. Rozas , Stefan U. Egelhaaf , Jürgen Horbach , Hartmut Löwen

The depletion potential between two hard spheres in a solvent of thin hard disclike platelets is investigated by using either the Derjaguin approximation or density functional theory. Particular attention is paid to the density dependence…

Soft Condensed Matter · Physics 2009-11-10 L. Harnau , S. Dietrich

Inertial microfluidics has been limited to dilute particle concentrations due to defocusing (spreading out) at high particle concentrations. We observe a counterintuitive shift of focusing to the outer curved wall under high concentration…

We examine the nanoscale behavior of an equilibrium three-phase contact line in the presence of long-ranged intermolecular forces by employing a statistical mechanics of fluids approach, namely density functional theory (DFT) together with…

Fluid Dynamics · Physics 2014-08-05 Andreas Nold , David N. Sibley , Benjamin D. Goddard , Serafim Kalliadasis

The interfacial tension of a liquid droplet surrounded by another liquid in the presence of microscopic ions is studied as a function of the droplet radius. An analytical expression for the interfacial tension is obtained within a linear…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Joost de Graaf , Jos Zwanikken , Rene van Roij

We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase-field-crystal modeling. The solid ordering decays exponentially on the…

Materials Science · Physics 2015-06-12 Robert Spatschek , Ari Adland , Alain Karma

We re-examine the ordering behavior of a one-dimensional fluid of freely rotating hard needles, where the centers of mass of the particles are restricted to a line. Analytical equations are obtained for the equation of state, order…

Statistical Mechanics · Physics 2013-05-29 Péter Gurin , Szabolcs Varga

The phenomenon of electrowetting, i.e., the dependence of the macroscopic contact angle of a fluid on the electrostatic potential of the substrate, is analyzed in terms of the density functional theory of wetting. It is shown that…

Soft Condensed Matter · Physics 2014-05-07 Markus Bier , Ingrid Ibagon

The relaxation dynamics of a model fluid of platelike colloidal particles is investigated by means of a phenomenological dynamic density functional theory. The model fluid approximates the particles within the Zwanzig model of restricted…

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

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 consider the scaling limit of a generic ferromagnetic system with a continuous phase transition, on the half plane with boundary conditions leading to the equilibrium of two different phases below criticality. We use general properties…

Statistical Mechanics · Physics 2014-10-09 Gesualdo Delfino , Alessio Squarcini

We study fluids of hard rods in the vicinity of hard spherical and cylindrical surfaces at densities below the isotropic-nematic transition. The Onsager second virial approximation is applied, which is known to yield exact results for the…

Soft Condensed Matter · Physics 2009-10-31 B. Groh , S. Dietrich

We study the density-density correlation function $G({\bf r},{\bf r}')$ in the interfacial region of a fluid (or Ising-like magnet) with short-ranged interactions using square gradient density functional theory. Adopting a simple double…

Statistical Mechanics · Physics 2015-06-19 A. O. Parry , C. Rascón , G. Willis , R. Evans

The possibility to extract properties of an interface between two immiscible liquids, e.g., electrolyte solutions or polyelectrolyte multilayers, by means of impedance spectroscopy is investigated theoretically within a dynamic density…

Soft Condensed Matter · Physics 2013-11-22 Andreas Reindl , Markus Bier

Using a density functional based interface displacement model we determine the effective interaction potential between two spherical particles which are immersed in a homogeneous fluid such as the vapor phase of a one-component substance or…

Soft Condensed Matter · Physics 2009-10-31 C. Bauer , T. Bieker , S. Dietrich

A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of…

Statistical Mechanics · Physics 2007-10-08 James F. Lutsko

We analyze the structure of the Fundamental Measure Theory for the free energy density functional of hard sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is done in…

Soft Condensed Matter · Physics 2009-11-07 Jose A. Cuesta , Yuri Martinez-Raton , Pedro Tarazona

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 microscopic approach to the description of the phase behaviour and critical phenomena in binary fluid mixtures is proposed. It is based on the method of collective variables with a reference system. The physical nature of the order…

Condensed Matter · Physics 2009-10-31 O. V. Patsahan

We investigate the behavior of a patchy particle model close to a hard-wall via Monte Carlo simulation and density functional theory (DFT). Two DFT approaches, based on the homogeneous and inhomogeneous versions of Wertheim's first order…