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2010, Journal of Computational and Theoretical Nanoscience
We simulate the breakup of cylindrical fibers of a nematic liquid crystal surrounded by a quiescent Newtonian fluid. The nematic is described by the Leslie-Ericksen theory, and the interfacial motion is captured by a phase-field method from the initial linear instability to final breakup. The focus is on the coupling between liquid crystal molecular orientation and the evolution of the interface. In particular, we examine how molecular anchoring on the interface and orientational distortion in the bulk affect the growth of capillary waves. Results show that the nematic order tends to hinder capillary wave development, in qualitative agreement with prior linear instability analysis. For typical materials, however, the effect becomes prominent only for nano-scale fibers. In addition, anisotropic viscosity plays a significant role in the growth rate of the capillary wave. In the nonlinear stage of the instability, neighboring waveforms grow at different speeds and lead to daughter drops of nonuniform sizes, which typically display the bipolar configuration with two boojum defects. Despite quantitative differences, the breakup of nematic fibers proceeds in mostly the same way as Newtonian ones. The numerical simulations are in general agreement with previous experimental observations.
Continuum Mechanics and Thermodynamics, 2002
Linear stability analysis of capillary instabilities in a thin nematic liquid crystalline cylindrical fiber embedded in an immiscible viscous matrix is performed by formulating and solving the governing nemato-capillary equations, that include the effect of interfacial viscous shear forces due to flow in the viscous matrix. A representative axial nematic orientation texture is studied. The surface disturbance is expressed in normal modes, which include the azimuthal wavenumber m to take into account non-axisymmetric modes. Capillary instabilities in nematic fibers reflect the anisotropic nature of liquid crystals, such as the orientation contribution to the surface elasticity and surface bending stresses. Surface gradients of bending stresses provide additional anisotropic contributions to the capillary pressure that may renormalize the classical displacement and curvature forces that exist in any fluid fiber. The exact nature (stabilizing and destabilizing) and magnitude of the renormalization of the displacement and curvature forces depend on the nematic orientation and the anisotropic contribution to the surface energy, and accordingly capillary instabilities may be axisymmetric or non-axisymmetric, with finite or unbounded wavelengths. Thus, the classical fiber-to-droplet transformation is one of several possible instability pathways while others include surface fibrillation. The contribution of the viscosity ratio to the capillary instabilities of a thin nematic fiber in a viscous matrix is analyzed by two parameters, the fiber and matrix Ohnesorge numbers, which represent the ratio between viscous and surface forces in each phase. The capillary instabilities of a thin nematic fiber in a viscous matrix are suppressed by increasing either fiber or matrix Ohnesorge number, but estimated droplet sizes after fiber breakup in axisymmetric instabilities decrease with increasing matrix Ohnesorge number.
NIC Symposium, 2004
Experiments and theories have shown that nematic fluids may adopt inhomogeneous steady states under shear flow. Here we reproduce and study such states by nonequilibrium molecular dynamics simulations of systems of soft repulsive ellipsoids. Different situations where a nematic phase coexists with a paranematic phase are examined. In geometries that impose constant stress on the whole system, we observe shear banding, ie, separation into two phases with different local strain rates.
We study spreading dynamics of nematic liquid crystal droplets within the framework of the long-wave approximation. A fourth-order nonlinear parabolic partial differential equation governing the free surface evolution is derived. The influence of elastic distortion energy and of imposed anchoring variations at the substrate are explored through linear stability analysis and scaling arguments, which yield useful insight and predictions for the behaviour of spreading droplets. This behaviour is captured by fully nonlinear time-dependent simulations of three-dimensional droplets spreading in the presence of anchoring variations that model simple defects in the nematic orientation at the substrate.
Physical review. E, Statistical, nonlinear, and soft matter physics, 2002
We study the coarsening dynamics of two- and three-dimensional biaxial nematic liquid crystals, using Langevin dynamics. Unlike previous work, we use a model with no a priori relationship among the three elastic constants associated with director deformations. Biaxial nematics possess four topologically distinct classes of defects, three of which have half-integer charge, while the fourth, which plays a minor role in coarsening, is of integer charge. We find a rich variety of coarsening behavior, including the presence of one, two, or three of the half-integer classes at late times, depending on the relative values of the elastic constants and the resulting energetics of the decay channels of the defects. The morphology of the defect tangle in three dimensions when all three classes are present is particularly interesting. Rather than forming independent defect loops (as occurs when only one or two of the classes are present), the defect lines meet at junction points which are distr...
Journal of Fluid Mechanics, 2007
We simulate the rise of Newtonian drops in a nematic liquid crystal parallel to the far-field molecular orientation. The moving interface is computed in a diffuse-interface framework, and the anisotropic rheology of the liquid crystal is represented by the Leslie–Ericksen theory, regularized to permit topological defects. Results reveal interesting coupling between the flow field and the orientational field surrounding the drop, especially the defect configuration. The flow generally sweeps the point and ring defects downstream, and may transform a ring defect into a point defect. The stability of these defects and their transformation are depicted in a phase diagram in terms of the Ericksen number and the ratio between surface anchoring and bulk elastic energies. The nematic orientation affects the flow field in return. Drops with planar anchoring on the surface rise faster than those with homeotropic anchoring, and the former features a vortex ring in the wake. These are attribute...
Physical Review Letters, 1987
An experiment is performed in which a topological line defect (S =-,) is forced to move with constant speed c under the action of an applied voltage V. We argue that the line speed is determined by a competition between the viscous damping and the free energy that the system gains by displacing the line, so that c PV, with P=(I/2&b)(a, lt. /x)'~2 and b a number-1 determined only by viscous effects close to the core of the defect.
Soft Matter, 2009
We report on the forced wetting of a liquid crystal on a polymer fiber in the nematic and isotropic phase under partial wetting conditions. As the cylindrical fiber exits from the fluid reservoir, the fluid forcedcoated on the fiber is immediately broken into droplets due to capillary-driven instability, even in the wetting conditions. For the nematic fluid, the initial film thickness, h, before breakup, scales almost linearly with the capillary number, Ca, as h $ Ca 0.94 , while h $ Ca 2/3 for the isotropic fluid, as predicted for a Newtonian fluid. The amount of the fluid coated on a fiber is larger in the nematic phase than in the isotropic phase at a given velocity within the velocity range studied. Analysis using Ericksen-Leslie equations shows that Frank elasticity plays no role in increasing the coating thickness for the nematic fluid, while viscous anisotropy is the source of observed rescaling, h $ Ca. This non-classical scaling is attributed to the deformation-stress cross-coupling and the existence of extensional kinematics in the meniscus formation region.
The Journal of Chemical Physics, 2014
We perform molecular dynamics simulations of a nematic liquid crystal flowing around a colloidal particle. We study the flow-induced modifications of the topological defects in the liquid crystal due to the presence of the colloid. We show that flow distorts Boojum defects into an asymmetrically larger downstream lobe, and that Saturn ring defects are convected downstream along the flow direction, which is in agreement with experimental observations. Additionally, for a Janus colloid with both parallel and perpendicular patches, exhibiting a Boojum defect and a Saturn ring defect, we find that the Boojum defect facing the upstream direction is destroyed and the Saturn ring is convected downstream.
Physical Review E, 2001
We study viscous fingering of an air-nematic interface in a radial Hele-Shaw cell when periodically switching on and off an electric field, which reorients the nematic and thus changes its viscosity, as well as the surface tension and its anisotropy (mainly enforced by a single groove in the cell). We observe undulations at the sides of the fingers which correlate with the switching frequency and with tip oscillations which give maximal velocity to smallest curvatures. These lateral undulations appear to be decoupled from spontaneous (noise-induced) side branching. We conclude that the lateral undulations are generated by successive relaxations between two limiting finger widths. The change between these two selected pattern scales is mainly due to the change in the anisotropy. This scenario is confirmed by numerical simulations in the channel geometry, using a phase-field model for anisotropic viscous fingering.
The Journal of Chemical Physics, 2012
Pattern formation in uniaxial polymeric liquid crystals is studied for different dynamic closure approximations. Using the principles of mesoscopic non-equilibrium thermodynamics in a mean-field approach, we derive a Fokker-Planck equation for the single-particle non-homogeneous distribution function of particle orientations and the evolution equations for the second and fourth order orientational tensor parameters. Afterwards, two dynamic closure approximations are discussed, one of them considering the relaxation of the fourth order orientational parameter and leading to a novel expression for the free-energy like function in terms of the scalar order parameter. Considering the evolution equation of the density of the system and values of the interaction parameter for which isotropic and nematic phases coexist, our analysis predicts that patterns and traveling waves can be produced in lyotropic uniaxial nematics even in the absence of external driving.
Physical Review E, 2014
We use homogenization theory to develop a multiscale model of colloidal dispersion of particles in nematic liquid crystals under weak-anchoring conditions. We validate the model by comparing it with simulations by using the Landau-de Gennes free energy and show that the agreement is excellent. We then use the multiscale model to study the effect that particle anisotropy has on the liquid crystal: spherically symmetric particles always reduce the effective elastic constant. Asymmetric particles introduce an effective alignment field that can increase the Fredericks threshold and decrease the switch-off time.
Langmuir, 2003
A general model for the capillary rise for uniaxial nematic liquid crystals has been derived using fundamental principles and classical liquid crystal physics and partially validated using existing experimental data. A rigorous formulation of the contributions of surface and bulk nematic elasticity was implemented. The surface contribution is a function of the surface anchoring strength at the liquid crystalcapillary wall. The exact bulk elasticity contribution is a function of the director field in the meniscus. The specific form of the capillary rise equation for four typical nematic textures was developed and analyzed. It is found that capillary rise depends on the presence of bulk disclinations and on the orientation field close to the contact line. It is found that orientation gradients at the contact line are the most significant nematic contribution to capillary rise. The model explains unusual features in experimental capillary rise measurements, including why parallel nematic orientation at the capillary wall exhibits a higher capillary rise than orthogonal orientation.
Non-Newtonian fluid flows.
Langmuir, 2005
The spontaneous spreading of macroscopic drops of nematic liquid crystals on hydrophilic substrates has been investigated by interferometric techniques. There is a complex interplay between the elastic energy, due to antagonist anchoring at the interfaces, and the radial flow in the spreading drop. A relevant parameter appears to be the relative humidity of the atmosphere, because it controls the amount of water molecules adsorbed on the substrate and, therefore, the strength of anchoring defects. The spreading laws differ from the ones of simple wetting liquids, and contact line instabilities coupled to short-(anchoring) or large-scale (disclinations) defects of the nematic film are observed.
Langmuir, 2008
We use dynamic simulations to explore the pairwise interaction and multiparticle assembly of droplets suspended in a nematic liquid crystal. The computation is based on a regularized Leslie-Ericksen theory that allows orientational defects. The homeotropic anchoring on the drop surface is of sufficient strength as to produce a satellite point defect near the droplet. Based on the position of the defects relative to the host droplet and the far-field molecular orientation, we have identified five types of pairwise attractive and repulsive forces. In particular, long-range attraction between two droplets with their line of centers along the far-field orientation decays as R -4 , with R being the center-to-center separation. This agrees with prior static calculations and a phenomenological model that treats the attraction as that between two dipoles. For interaction in shorter ranges, our simulations agree qualitatively with experimental measurements and static calculations. However, there is considerable quantitative discrepancy among the few existing studies and our simulation. We suggest that this is partly due to the dynamic nature of the process, which has never been taken into account in prior calculations. Multidrop simulations show the formation of linear chains through pairwise interactions between nearby droplets. Parallel chains repel or attract each other depending on the relative orientation of the drop-to-defect vector. These are consistent with experimental observations of chain formation and two-dimensional self-assembly in bulk nematics and smectic-C films.
The Journal of Chemical Physics, 2008
We study the annihilation of hedgehog-antihedgehog defects in confined nematic liquid crystals using Brownian molecular dynamics simulations. After the collision, merging of defects, and building a loop disclination structure, system can experience a structural transition into another nematic structure, triggered by a nucleation of loop disclination structure. In our rough theoretical approach we calculate the size of the emerged loop structure as the function of the typical size of the confining cavity. Attention is paid also to the dynamics of the loop structure after collision.
Soft matter, 2015
Theory and modeling are used to characterize disclination loop-loop interactions in nematic liquid crystals under capillary confinement with strong homeotropic anchoring. This defect process arises when a mesogen in the isotropic phase is quenched into the stable nematic state. The texture evolution starts with +1/2 disclination loops that merge into a single loop through a process that involves collision, pinching and relaxation. The process is characterized with a combined Rouse-Frank model that incorporates the tension and bending elasticity of disclinations and the rotational viscosity of nematics. The Frank model of disclinations follows the Euler elastica model, whose non-periodic solution, known as Poleni's curve, is shown to locally describe the loop-loop collision and to shed light on why loop-loop merging results in a disclination intersection angle of approximately 60°. Additional Poleni invariants demonstrate how tension and bending pinch the two loops into a single ...
Soft Matter, 2007
This paper presents an overview of the capillary modeling science of nematic liquid crystals and its applications to the stability, structure, and shape of films, membranes, fibers, and drops. Liquid crystals are anisotropic viscoelastic materials possessing long range orientational order, and hence these models are relevant to the capillary science of anisotropic soft matter. A systematic multiscale approach is used to derive the equations that govern the shape of interfaces and contact lines. These shape equations generalize the surface Laplace and the contact line Neuman equations by introducing long range orientational order, gradient elasticity, surfactant adsorbants, magnetic and electric fields. The thermodynamics of capillary systems is used to reveal novel cross-effects such as adsorption-driven shape changes of surfaces and contact lines. The capillary models are used to analyze the structure and stability of films, membranes, fibers, and drops, of direct relevance to the processing and performance of structural and functional liquid crystals. Novel soft materials and mechanisms analyzed in this paper include: (1) stabilization of freely-suspended nematic films by orientation and molecular order heterogeneities, (2) orientational defects in polymer dispersed liquid crystals films, shown to originate from surface anchoring transitions, (3) electric field-induced curvature in membranes for sensor and actuator applications, (4) new helical morphologies of thin nematic filaments driven by strong interfacial anchoring, (5) tunable partial wetting through contact angle modification via gradient and anchoring elasticity, (6) liquid crystal nanoemulsion shape control through anchoring effects, and (7) magnetic shaping in liquid crystal colloids. Readily accessible applications to biological liquid crystal materials and processes indicate that capillary modeling science will be a most active area of research in the very near future.
Physical review, 1982
Reentrant behavior in nematic liquid crystals is described by the treatment of the system as a mixture of monomers and dimers interacting through attractive induced soft interactions as well as hard-core repulsions. It is shown that the induced forces between dimers, monomers, and between monomers and dimers, respectively, under suitable conditions of temperature and density lead to a smectic layer structure with a period equal to the length of the dimer. However, with decreasing temperature or increasing density, repulsive steric forces, due to the unfavorable packing of the dimers in the smectic planes, may take over and thus favor the nematic phase again. In agreement with experiment the best conditions to get a reentrant nematic phase are predicted for the ratio of the length of the dimer to that of the monomer between 1.3 and 1. 4. The predictions of the model are in good agreement with currently available experimental data. In principle, the model applies also to discotic liquid crystals.
Physical Review Letters, 2009
Using an atomic force microscopy, we have measured the separation dependence of the force between an atomically flat mica sheet and a micrometer-sized glass sphere immersed in the nematic liquid crystal. As the mica surface induces a strong parallel alignment and the treated glass sphere induces a strong perpendicular alignment on the liquid crystal, a repulsive force is observed due to the elastically deformed nematic liquid crystal. We observe that below a critical separation d th % 10 nm, the system undergoes a structural transition, thus relaxing the distortion. The results are interpreted within the eigenvalue exchange mechanism using the Landau-de Gennes tensorial approach.
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