Using a generalized order parameter gradient expansion within density functional theory, we derive a phase-field-crystal model for liquid crystals composed by apolar particles in three spatial dimensions. Both the translational density and the orientational direction and ordering are included as order parameters. Different terms involving gradients in the order parameters in the resulting free energy functional are compared to the macroscopic Ginzburg-Landau approach as well as to the hydrodynamic description for liquid crystals. Our approach provides microscopic expressions for all prefactors in terms of the particle interactions. Our phase-field-crystal model generalizes the conventional phase-field-crystal model of spherical particles to orientational degrees of freedom and can be used as a starting point to explore phase transitions and interfaces for various liquid-crystalline phases.
We propose a geometrical characterization of amorphous liquid structures that suppress crystallization by competing locally with crystalline order. We introduce for this purpose the crystal affinity of a liquid, a simple measure of its propensity to accumulate local crystalline structures on cooling. This quantity is explicitly related to the high temperature structural covariance between local fluctuations in crystal order and that of competing liquid structures: favouring a structure that, due to poor overlap properties, anticorrelates with crystalline order reduces the affinity of the liqui…
These lecture notes discuss classical models of liquid crystals, and the different ways in which defects are described according to the different models.
We calculate the degree to which the final structure of the local groundstate in a liquid is a function of the strength of a perturbing potential applied during energy minimization. This structural susceptibility is shown to correlate well with the observed tendency of liquid adjacent to a crystal interface to exhibit a crystalline groundstate, a feature that has been strongly linked to the observation of ultra-fast crystal growth in pure metals and ionic melts. It is shown that the structural susceptibility increases dramatically as the interaction potential between atoms is softened.
This review introduces the elasticity theory of two-dimensional crystals and nematic liquid crystals on curved surfaces, the energetics of topological defects (disclinations, dislocations and pleats) in these ordered phases, and the interaction of defects with the underlying curvature. This chapter concludes with two cases of three-dimensional nematic phases confined to spaces with curved boundaries, namely a torus and a spherical shell.
The motion of topological defects is an important feature of the dynamics of all liquid crystals, and is especially conspicuous in active liquid crystals. Understanding defect motion is a challenging theoretical problem, because the dynamics of orientational order is coupled with backflow of the fluid, and because a liquid crystal has several distinct viscosity coefficients. Here, we suggest a coarse-grained, variational approach, which describes the motion of defects as effective `particles.' For passive liquid crystals, the theory shows how the drag depends on defect orientation, and shows t…
The influence of the molecular structure of the nematic liquid crystal (NLC) on the photoalignment process at the NLC -- polymer interface has been investigated experimentally. NLCs having exclusively phenyl-, or cyclohexane rings in the rigid core, as well as NLCs containing both phenyl and cyclohexane groups have been considered. Substantial differences have been found in the photoalignment process depending on the molecular structure of the NLC, supporting the assumption that the polymer -- NLC interface should be regarded as a coupled system, where the two components mutually influence eac…
Based on static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits stable isotropic, nematic, smectic A, columnar, plastic crystalline and orientationally ordered crystalline phases. As far as the dynamics is concerned, the translational density is a conserved order parameter while the orientational ordering is non-conserved. The derived phase-field-crystal model can serve for efficient numerical investigations of various none…
The research herein studies the Langevin dynamics allowing for an exchange of energy between liquid crystals and the thermal environment. This dynamics leads to fluctuation and dissipation behaviors in the motions of liquid crystals, and therefore drives the system toward non-equilibrium evolutional processes. In particular, for the operations of liquid-crystal metastable systems, the fluctuation could allow an excitation (non-equilibrium) transition against energy barriers to the globally-stable state. Implemented with an actual case of liquid crystal pi configuration, this work statistically…
We investigate theoretically the wetting properties of cholesteric liquid crystals at a planar substrate. If the properties of substrate and of the interface are such that the cholesteric layers are not distorted the wetting properties are similar to those of a nematic liquid crystal. If, on the other hand, the anchoring conditions force the distortion of the liquid crystal layers the wetting properties are altered, the free cholesteric-isotropic interface is non-planar and there is a layer of topological defects close to the substrate. These deformations can either promote or hinder the wetti…
In this article is proposed the general approach to determination the character of the interaction between colloidal particles in a different liquid crystals. The main idea of this approach are in the presentation of the colloidal particle as sours of the possible deformation of the ground state of the director field. The ground state of liquid crystal imposes restrictions on the possible deformations and as result determine the character of the interaction between the colloidal particles. Based on this approach the Coulomb like interaction between dipole particles in a cholesteric liquid crys…
Colloidal particles trapped at an interface between two fluids can form a wide range of different structures. Replacing one of the fluid with a liquid crystal increases the complexity of interactions and results in a greater range of possible structures. New behaviour emerges when colloidal particles interact with defects in the liquid crystal phases. Here we discuss the templating of colloids at a cholesteric isotropic interface.
Particle tracking passive microrheology in 8CB liquid crystals is used to redefine the precessional motion of the orientation of nematic director in liquid crystals. Physical origin of tumbling director in presence of presmectic clusters under zero shear conditions is discussed. Different structural properties (pure nematic phase, presmectic(smectic C and smectic A clusters)) were differentiated with characteristic dependence of $G'$ on $ω$ in the nematic phase of 8CB liquid crystals. Also, dynamic viscosity is observed with a cross over between parallel and perpendicular components as the sme…
We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling from a low-density isotropic liquid state the simulated system performed a weak first order phase transition which produced a liquid crystal phase composed of parallel particle columns arranged in a hexagonal pattern in the plane perpendicular to the column axis. The particles within columns formed a liquid structure and demonstrated a significant intracolu…
In this paper, we propose a suitable surface energy expression for cholesteric liquid crystals. We show that there exists a symmetry allowed term for chiral nematics that doesn't appear in the traditional Rapini-Papoular surface energy form. We discuss some consequences of this new surface anchoring term.
The metamaterial based on two planar photonic crystals was used on experimental express analysis of liquids. The metamaterial operates at a frequency of about 9.5 GHz, and has a small size. It was shown experimentally that when the liquid in container was placed in the resonance region at the interface of the two photonic crystals the parameters of resonance peak of transmission coefficient were changed. It was shown experimentally that different liquids have a different character of depending of the inverse Q-factor and the resonance frequency of the resonance peak on the distance from the in…
Phase behavior of liquid crystals is of long-standing interest due to numerous applications, with one of the key issues being how the presence of impurities affects the liquid crystalline order. Here we study the orientational order of 4-cyano-4$^{'}$-pentylbiphenyl (5CB) and 4-cyano-4$^{'}$-hexylbiphenyl (6CB) nematic liquid crystals in the presence of varying concentrations of water and n-hexane molecules serving as impurities, by carrying out both fully atomistic simulations and experiments. Our results reveal that mixing of the impurities (in case of hexane) with the host liquid crystals c…
The collective diffusion effects in system of a colloidal particles in a liquid crystal has been proposed. In this article described peculiarity of collective diffusion colloidal particles in a liquid crystal, which can be observe experimentally. The diffusion coefficient should be crucial dependence from temperature and concentration of particles. In system colloidal particles arise from the elastic distortion of the elastic director field the inter-particle interaction. These interaction can cause nontrivial collective behavior, as the results the non-monotonic dependence collective diffusio…
In liquid crystal elastomers, the orientational order of liquid crystals is coupled with elastic distortions of crosslinked polymer networks. Previous theoretical research has described these materials through two different approaches: a neoclassical theory based on the liquid crystal director and the deformation tensor, and a geometric elasticity theory based on the difference between the actual metric tensor and a reference metric. Here, we connect those two approaches using a formalism based on differential geometry. Through this connection, we determine how both the director and the geomet…
Large scale Molecular Dynamics simulations of sixty-five systems with N=80000 Lennard-Jones particles at two different supercooled liquid state points reveals, that the supercooled states contain spatially heterogeneous distributed subdomains of particles with significant higher bond-order than the mean bond-order in the supercooled liquid. The onset of crystallization starts in such an area with relative high six-ford bond-order for a supercooled state, but low bond-order for a fcc crystal. The critical nucleus of N \approx 70 particles is surrounded by many hundred of particles with relative…
Bulk properties of ionic liquid crystals are investigated using density functional theory. The liquid crystal molecules are represented by ellipsoidal particles with charges located in their center or at their tails. Attractive interactions are taken into account in terms of the Gay-Berne pair potential. Rich phase diagrams involving vapor, isotropic and nematic liquid, as well as smectic phases are found. The dependence of the phase behavior on various parameters such as the length of the particles and the location of charges on the particles is studied.
We demonstrate that one-dimensional photonic crystals with pure nematic liquid-crystal defects can operate as all-optical switching devices based on optical orientational nonlinearities of liquid crystals. We show that such a periodic structure is responsible for a modulated threshold of the optical Fréedericksz transition in the spectral domain, and this leads to all-optical switching and light-induced multistability. This effect has no quasi-statics electric field analogue, and it results from nonlinear coupling between light and a defect mode.
We propose the first Skyrmion Spin Ice, realized via confined, interacting liquid crystal skyrmions. Skyrmions in a chiral nematic liquid crystal behave as quasi-particles that can be dynamically confined, bound, and created or annihilated individually with ease and precision. We show that these quasi-particles can be employed to realize binary variables that interact to form ice-rule states. Because of their unique versatility, liquid crystal skyrmions can open entirely novel avenues in the field of frustrated systems. More broadly, our findings also demonstrate the viability of LC skyrmions …
The liquid-liquid critical point scenario of water hypothesizes the existence of two metastable liquid phases---low-density liquid (LDL) and high-density liquid (HDL)---deep within the supercooled region. The hypothesis originates from computer simulations of the ST2 water model, but the stability of the LDL phase with respect to the crystal is still being debated. We simulate supercooled ST2 water at constant pressure, constant temperature and constant number of molecules N for N<=729 and times up to 1000 ns. We observe clear differences between the two liquids, both structural and dynamical.…
We provide a compact derivation of the static and dynamic equations for infinite-dimensional particle systems in the liquid and glass phases. The static derivation is based on the introduction of an "auxiliary" disorder and the use of the replica method. The dynamic derivation is based on the general analogy between replicas and the supersymmetric formulation of dynamics. We show that static and dynamic results are consistent, and follow the Random First Order Transition scenario of mean field disordered glassy systems.
A scattering polarizer is created by subjecting a polymer dispersed liquid crystal (PDLC) film to tensile strain. The optomechanical properties of the film are investigated by simultaneously measuring the stress-strain and polarization dependent optical transmission characteristics. The correlation between transmittances of two orthogonal polarizations and the stress-strain curve reveals that the polymer orientation as well as the droplet shape anisotropy influences the liquid crystal alignment within the droplets. A Monte-Carlo simulation based on the Lebwohl-Lasher model is used to explain t…
Controlling the anchoring of liquid crystal molecules at an interface with a water solution influences the entire organization of the underlying liquid crystal phase, which is crucial for many applications. The simplest way to stabilize such interfaces is by fabricating droplets of liquid crystal in water; however, a greater sensitivity to interfacial effects can be achieved using liquid crystal shells, i.e. spherical films of liquid crystal suspended in water. Anchoring transitions on those systems are traditionally triggered by the adsorption of surfactant molecules onto the interface, which…
We study photopolymerization in a low-molecular weight liquid crystal with non-uniform director gradients. Phase separation results in spatially non-uniform distribution of polymer density controlled by the distorted nematic matrix. Director-gradient-controlled polymerization provides a new and useful technique to assemble micron-scale polymer architectures.
The improved expansion in width is applied to curved domain walls in uniaxial nematic liquid crystals in external magnetic field. In the present paper we concentrate on the case of equal elastic constants. We obtain approximate form of the director field up to second order in magnetic coherence length.
This article re-examines a classic question in liquid-crystal physics: What are the elastic modes of a nematic liquid crystal? The analysis uses a recent mathematical construction, which breaks the director gradient tensor into four distinct types of mathematical objects, representing splay, twist, bend, and a fourth deformation mode. With this construction, the Oseen-Frank free energy can be written as the sum of squares of the four modes, and saddle-splay can be regarded as bulk rather than surface elasticity. This interpretation leads to an alternative way to think about several previous re…
When liquid-crystal elastomers are prepared without any alignment, disordered polydomain structures emerge as the materials are cooled into the nematic phase. These polydomain structures have been attributed to quenched disorder in the cross-linked polymer network. As an alternative explanation, we develop a theory for the dynamics of the isotropic-nematic transition in liquid-crystal elastomers, and show that the dynamics can induce a polydomain structure with a characteristic length scale, through a mechanism analogous to the Cahn-Hilliard equation for phase separation.
Partially phase-separated liquid-crystal/polymer dispersions display highly fibrillar domain morphologies that are dramatically different from the typical structures found in isotropic mixtures. To explain this, we numerically explore the coupling between phase ordering and phase separation kinetics in model two-dimensional fluid mixtures phase separating into a nematic phase, rich in liquid crystal, coexisting with an isotropic phase, rich in polymer. We find that phase ordering can lead to fibrillar networks of the minority polymer-rich phase.
Curso introductorio de cristales líquidos I: fases y propiedades estructurales (Introductory Course on Liquid Crystals I: Phases and Structural Properties)
We put forward a hydrodynamic theory of nematic liquid crystals that includes both anisotropic elasticity and dynamic relaxation. Liquid remodeling is encompassed through a continuous update of the shear-stress free configuration. The low-frequency limit of the dynamical theory reproduces the classical Ericksen-Leslie theory, but it predicts two independent identities between the six Leslie viscosity coefficients. One replicates Parodi's relation, while the other-which involves five Leslie viscosities in a nonlinear way-is new. We discuss its significance, and we test its validity against evid…
We study DC and AC electrophoresis of silica micro and nanorods in a thin film of a nematic liquid crystal. These particles induce virtual topological defects and also demonstrate nontrivial electrophoresis in a nematic liquid crystal. We measure several nonlinear electrophoretic mobility coefficients and compare with those calculated theoretically. We demonstrate a competing effect of the elastic and electrostatic torques that arises due to tilting of the rods with respect to the liquid crystal director. A basic theory describing this effect allows us to measure the effective polarizability o…
We show that a long DNA molecule can form a novel condensed phase of matter, the pseudoscalar liquid crystal, that consists of aperiodically ordered DNA fragments in right-handed B and left-handed Z forms. We discuss the possibility of transformation of B-DNA into Z-DNA and vice versa via first-order phase transitions as well as transformations from the phase with zero total chirality into pure B- or Z-DNA samples through second-order phase transitions. The presented minimalistic phenomenological model describes the pseudoscalar liquid crystal phase of DNA and the phase transition phenomena. W…
Slow dynamics of difluorotetrachloroethane in both supercooled plastic crystal and supercooled liquid states have been investigated from Molecular Dynamics simulations. The temperature and wave-vector dependence of collective dynamics in both states are probed using coherent dynamical scattering functions $S(Q,t)$. Our results confirm the strong analogy between molecular liquids and plastic crystals for which $α$-relaxation times and non-ergodicity parameters are controlled by the non trivial static correlations $S(Q)$ as predicted by the Mode Coupling Theory. The use of infinitely thin needle…
Coalescence of droplets is an ubiquitous phenomenon in chemical, physical and biolog-ical systems. The process of merging of liquid objects has been studied during the pastyears experimentally and theoretically in different geometries. We introduce a uniquesystem that allows a quasi two-dimensional description of the coalescence process,micrometer-sized flat droplets in freely suspended smectic liquid-crystal films. We findthat the bridge connecting the droplets grows linearly in time during the initial stage ofcoalescence, both with respect to its height and lateral width. We also verify self…
We consider a class of liquid crystal free-boundary problems for which both the equilibrium shape and internal configuration of a system must simultaneously be determined, for example in films with air- or fluid-liquid crystal interfaces and elastomers. We develop a finite element algorithm to solve such problems with dynamic mesh control, achieved by supplementing the free energy with an auxiliary functional that promotes mesh quality and is minimized in the null space of the energy. We apply this algorithm to a flexible capacitor, as well as to determine the shape of liquid crystal tactoids …
Recently Biscari, DiCarlo and Turzi ["Anisotropic wave propagation in nematic liquid crystals", to appear (arXiv:1311.1802)] proposed a theory for nematoacustics which models nematic liquid crystals as nematic elastomers with molecular relaxation. Here, we extend the analysis of this theory to account for the director motion possibly induced by the propagation of a sound wave. We find that the director vibration is related to the - usually small - anisotropy of the molecular distribution, thus providing a justification to the relative high ultrasonic intensities required to observe non-negligi…
We propose a simple and reliable method to measure the liquid crystal surface anchoring strength by molecular simulation. The method is based on the measurement of the long-range fluctuation modes of the director in confined geometry. As an example, molecular simulations of a liquid crystal in slab geometry between parallel walls with homeotropic anchoring have been carried out using the Monte Carlo technique. By studying different slab thicknesses, we are able to calculate separately the position of the elastic boundary condition, and the extrapolation length.
This paper presents a unified method for formulating a field-theoretic perturbation theory that encompasses the conventional liquid state theory. First, the free-energy functional of instantaneous correlation field is obtained from the functional-integral representation of the grand potential. Next, we demonstrate that the instantaneous free-energy functional yields a closure relation between the correlation functions in the mean-field approximation. Notably, the obtained closure relation covers a variety of approximate closures introduced in the liquid state theory.
Liquid-crystal networks consist of weakly crosslinked polymers that are coupled to liquid-crystal molecules. The resultant hybrid system has rich elastic properties. We develop a phase field model to describe mechanical properties of a hexagonal liquid-crystal network. The hexagonal liquid-crystal network is found to have soft shear deformations. The elastic properties are predicted analytically and confirmed with numerical simulations. In addition the model incorporates non-linear elasticity and dislocations or disclinations.
Using computer simulations, we establish that the structure of a supercooled binary atomic liquid mixture consists of common neighbour structures similar to those found in the equilibrium crystal phase, a Laves structure. Despite the large accumulation of crystal-like structure, we establish that the supercooled liquid represents a true metastable liquid and that liquid can borrow crystal structure without being destabilized. We consider whether this feature might be the origin of all instances of liquids of a strongly favoured local structure.
James Lee Fergason (1934 - 2008) focused his research on the liquid crystals. His studies correspond to a relevant part of the history of soft matter science and technology of liquid crystals. Here a discussion of some of his researches.
The article presents a straightforward experiment that directly and illustratively demonstrates double refraction. For this purpose, two liquid crystalline cells were designed, which enable qualitative and quantitative measurements of the extraordinary refractive index direction dependency in a uniaxial nematic liquid crystal.
We propose electrically tunable hybrid metamaterial consisting of special wire grid immersed into nematic liquid crystal. The plasma-like permittivity of the structure can be substantially varied due to switching of the liquid crystal alignment by external voltages applied to the wires. Depending on the scale of the structure, the effect is available for both microwave and optical frequency ranges.
We present a calculation of the Casimir torque acting on a liquid crystal near a birefringent crystal. In this system, a liquid crystal bulk is uniformly aligned at one surface and is twisted at the other surface by a birefringent crystal, e.g. barium titanate. The liquid crystal is separated from the solid crystal by an isotropic, transparent material such as SiO$_2$. By varying the thickness of the deposited layer, we can observe the effect of retardation on the torque (which differentiates it from the close-range van der Waals torque). We find that a barium titanate slab would cause 5CB (4-…
Liquid crystal is a typical kind of soft matter that is intermediate between crystalline solids and isotropic fluids. The study of liquid crystals has made tremendous progress over the last four decades, which is of great importance on both fundamental scientific researches and widespread applications in industry. In this paper, we review the mathematical models and their connections of liquid crystals, and survey the developments of numerical methods for finding the rich configurations of liquid crystals.
Recent experiments have reported that ferroelectric nanoparticles have drastic effects on nematic liquid crystals--increasing the isotropic-nematic transition temperature by about 5 K, and greatly increasing the sensitivity to applied electric fields. To understand these effects, we develop a theory for the statistical mechanics of ferroelectric nanoparticles in liquid crystals. This theory predicts the enhancements of liquid-crystal properties, in good agreement with experiments. These predictions apply even when electrostatic interactions are partially screened by moderate concentrations of …
We study the effect of boundary rugosity in nematic liquid crystalline systems. We consider a highly general formulation of the problem, able to simultaneously deal with several liquid crystal theories. We use techniques of Gamma convergence and demonstrate that the effect of fine-scale surface oscillations may be replaced by an effective homogenised surface energy on a simpler domain. The homogenisation limit is then quantitatively studied in a simplified setting, obtaining convergence rates.
We derive a mathematical model of a nematic electrolyte based on a variational formulation of nematodynamics. Extending our previous work, we consider a general setup which incorporates dielectric anisotropy of the liquid-crystalline matrix and the full set of nematic viscosities. We verify the model by comparing its predictions to the results of the experiments on the substrate-controlled liquid-crystal-enabled electrokinetics. In the experiments a nematic liquid crystal confined to a thin planar cell with surface-patterned anchoring conditions exhibit electro-osmotic flows along the "guiding…
