Related papers: Elastic constants from direct correlation function…
Direct correlation functions (DCFs), linked to the second functional derivative of the free energy with respect to the one-particle density, play a fundamental role in a statistical mechanics description of matter. This holds in particular…
By computer simulations of systems of ellipsoids, we study the influence of the isotropic/nematic phase transition on the direct correlation functions (DCF) in anisotropic fluids. The DCF is determined from the pair distribution function by…
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…
Using the density functional formalism we derive expression for the distortion free energy for systems with continuous broken symmetry and use it to derive expression for the elastic constants of smectic phases in which director is tilted…
The classical Oseen-Frank theory of liquid crystal elasticity is based on the experimentally verified fact that there are three independent modes of distortion, each with its associated elastic constant. On the other hand, the arguably more…
The pe physics engine is validated through the simulation of a liquid crystal model system consisting of hard spherocylinders. For this purpose we evaluate several characteristic parameters of this system, namely the nematic order…
We derive the Frank elastic constants for nematic solutions of semiflexible polymers. We plot these results as a function of the coarse-grained Maier-Saupe quadrupole aligning strength and polymer stiffness ranging from rigid to highly…
We study in detail the influence of molecular interactions on the Frank elastic constants of uniaxial nematic liquid crystals composed of molecules of cylindrical symmetry. A brief summary of the status of theoretical development for the…
Effects of three-point direct correlation on properties of the phase field crystal (PFC) modeling are examined, for the control of various ordered and disordered phases and their coexistence in both three-dimensional and two-dimensional…
We perform Dynamic Monte Carlo simulations to investigate the equilibrium dynamics of hard colloidal cuboids in oblate and prolate nematic liquid crystals. In particular, we characterise the particles' diffusion along the nematic director…
Nematic liquid crystals at rough and fluctuating interfaces are analyzed within the Frank elastic theory and the Landau-de Gennes theory. We study specifically interfaces that locally favor planar anchoring. In the first part we reconsider…
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…
This article investigates the interaction of nematic liquid crystals modeled by a simplified Ericksen-Leslie model with a rigid body. It is shown that this problem is locally strongly well-posed, and that it also admits a unique, global…
We review and compare recent work on the properties of fluctuating interfaces between nematic and isotropic liquid-crystalline phases. Molecular dynamics and Monte Carlo simulations have been carried out for systems of ellipsoids and hard…
The recent discovery of ferroelectric nematics-genuine 3D ferroelectric fluids-has underscored the importance of electrostatic interactions in shaping the physical behaviour of soft matter systems. In this paper, we investigate the…
A theory of the relationship between splay elastic constant K11 and permanent molecular moment of liquid crystals is developed. The theory gives a microscopic estimation of K11 with a correct order of magnitude by calculating the…
Time correlation functions in the Lebwohl-Lasher model of nematic liquid crystals are studied using theory and molecular dynamics simulations. In particular, the autocorrelation functions of angular momentum and nematic director…
We apply a recently proposed density functional for mixtures of parallel hard cylinders, based on Rosenfeld's fundamental measure theory, to study the effect of length-polydispersity on the relative stability between the smectic and…
A general procedure to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase field crystal (PFC) models, is presented. It is found…
The Thomas-Fermi (TF) approximation for the static dielectric constant of a three-dimensional electron liquid can be derived from minimizing the TF local-density approximation for the kinetic-energy functional. Here we show that this…