Irreversible thermodynamics of liquid crystal interfaces

A macroscopic theory for the dynamics of isothermal compressible interfaces between nematic liquid crystalline polymers and isotropic viscous fluids has been formulated using classical irreversible thermodynamics. The theory is based on the derivation of the interfacial rate of entropy production for ordered interfaces, that takes into account interfacial anisotropic viscous dissipation as well as interfacial anisotropic elastic storage. The symmetry breaking of the interface provides a natural decomposition of the forces and fluxes appearing in the entropy production, and singles out the symmetry properties and tensorial dimensionality of the forces and fluxes. Constitutive equations for the surface extra stress tensor and for surface molecular field are derived, and their use in interfacial balance equations for ordered interfaces is identified. It is found that the surface extra stress tensor is asymmetric, since the anisotropic viscoelasticity of the nematic phase is imprinted onto the surface. Consistency of the proposed surface extra stress tensor with the classical Boussinesq constitutive equation appropriate to Newtonian interfaces is demonstrated. The anisotropic viscoelastic nature of the interface between nematic polymers (NPs) and isotropic viscous fluids is demonstrated by deriving and characterizing the dynamic interfacial tension. The theory provides for the necessary theoretical tools needed to describe the interfacial dynamics of NP interfaces, such as capillary instabilities, Marangoni flows, wetting and spreading phenomena.     

Non-symmetric viscoelasticity of anisotropic polymer liquids

The liquid crystalline (LC) polymers are considered as anisotropic viscoelastic liquids with nonsymmetric stresses. A simple constitutive equation for nematic polymers describing the coupled relaxation of symmetric and antisymmetric parts of the stress tensor is formulated. For illustration of non-symmetric anisotropic viscoelasticity, the simplest viscometric flows of polymeric nematics in the magnetic field are considered. The frequency and shear rate dependencies of extended set of Miesowicz viscosities are predicted. Received: 23 March 1999/Accepted: 13 December 1999     

Waves on the interface between a nematic liquid crystal and an ideal isotropic fluid

The problem of surface wave propagation over the interface between a nematic liquid crystal and an ideal isotropic fluid is considered. For the nematic liquid crystal the Frank-Oseen model with an isotropic viscous stress tensor is used. Anisotropic surface tension is described by the Rapini model. In this formulation, for the problem of harmonic small-amplitude surface wave propagation, in the case of infinite depths of both phases, an analytical solution is obtained. The dispersion relation is derived and its properties are investigated.     

Wrinkle patterns of anisotropic crystal films on viscoelastic substrates

This paper presents a nonlinear mathematical model for evolution of wrinkle patterns of an anisotropic crystal film on a viscoelastic substrate layer. The underlying mechanism of wrinkling has been generally understood as a stress-driven instability. Previously, theoretical studies on wrinkling have assumed isotropic elastic properties for the film. Motivated by recent experimental observations of ordered wrinkle patterns in single-crystal thin films, this paper develops a theoretical model coupling anisotropic elastic deformation of a crystal film with viscoelastic deformation of a thin substrate layer. A linear perturbation analysis is performed to predict the onset of wrinkling instability and the initial evolution kinetics. An energy minimization method is adopted to analyze wrinkle patterns in the equilibrium states. For a cubic crystal film under an equi-biaxial compression, orthogonally ordered wrinkle patterns are predicted in both the initial stage and the equilibrium state. This is confirmed by numerical simulations of evolving wrinkle patterns. By varying the residual stresses in the film, numerical simulations show that a variety of wrinkle patterns (e.g., orthogonal, parallel, zigzag, and checkerboard patterns) emerge as a result of the competition between material anisotropy and stress anisotropy.     

Dissipative soft modes in viscous nematodynamics

The paper analyses a possible occurrence of soft and semi-soft viscous modes in slow (low Reynolds number) flows of uniaxially anisotropic nematic liquids as described by the five parametric Leslie-Ericksen-Parodi (LEP) constitutive equations (CEs). As in the similar elastic case, the soft viscous modes theoretically cause no resistance to flow, nullifying the corresponding components of the viscous part of the total stress tensor, and do not contribute to the dissipation. That is why these modes can also be called dissipative soft modes. In some flows, these dissipative soft modes may cause the effect of nematic superfluidity. As in the theories of nematic elastic solids, this effect is caused by a marginal thermodynamic stability. The analysis is simplified in a specific local, rotating orthogonal coordinate system whose one axis is directed along the director. We demonstrate that depending on closeness of material parameters to the marginal stability conditions, LEP CEs describe the entire variety of soft, semi-soft and harder behaviors of nematic viscous liquids. When the only shearing dissipative modes are soft, the viscous part of stress tensor is symmetric, and LEP CE for stress, scaled with isotropic viscosity is reduced to a one-parametric, stress-strain rate anisotropic relation. When additionally the elongation dissipative mode is also soft, this scaled relation has no additional parameters and shows that the dissipation is always less than that in isotropic phase. Simple shearing and simple elongation flows illustrate these possible effects.     

Kinetic theories and mesoscopic models for solutions of nonhomogeneous liquid crystal polymers

We present a systematic derivation of hydrodynamic theories for nonhomogeneous nematic liquid crystal polymers (LCPs) by approximating the molecules as rigid ellipsoids, which can be either uniaxial molecules (spheroids) or biaxial ones. The short range interaction is assumed to be dominated by the excluded volume effect. Additional molecular properties with ellipsoidal molecules, e.g., a dipole–dipole interaction in extended nematics and chiral molecular structure in cholesterics, are accounted for through additional intermolecular potentials. Long-range molecular interaction is implemented through an averaged mean-field potential characterized by interaction functions. The extra elastic stress tensor is calculated using an extended virtual work principle consistent with conservation of angular momentum on the material volume, whereas the extra viscous stress is obtained by Batchelor’s volume averaging method. In the isothermal case, the theories are shown to satisfy the second law of thermodynamics, i.e., they admit positive production of entropy or energy dissipation. In the case of cholesterics, the kinetic theory reduces to the Leslie–Ericksen theory in the limit of weak translational diffusion, weak long range interaction, and weak flow.     

Shear cell rupture of nematic liquid crystal droplets in viscous fluids

We model the hydrodynamics of a shear cell experiment with an immiscible nematic liquid crystal droplet in a viscous fluid using an energetic variational approach and phase-field methods [86]. The model includes the coupled system for the flow field for each phase, a phase-field function for the diffuse interface and the orientational director field of the liquid crystal phase. An efficient numerical scheme is implemented for the two-dimensional evolution of the shear cell experiment for this initial data. The same model reduces to an immiscible viscous droplet in a viscous fluid, which we simulate first to compare with other numerical and experimental behavior. Then we simulate drop deformation by varying capillary number (independent of liquid crystal physics), liquid crystal interfacial anchoring energy and Oseen–Frank distortional elastic energy. We show the number of eventual droplets (one to several) and “beads on a string” behavior are tunable with these three physical parameters. All stable droplets possess signature quadrupolar shear and normal stress distributions. The liquid crystal droplets always possess a global surface defect structure, called a boojum, when tangential surface anchoring is imposed. Boojums [79], [32] consist of degree +1/2 and ?1/2 surface defects within a bipolar global orientational structure.     

Rheological characterization of continuous fiber—reinforced viscous fluid

The present paper describes a micromechanical technique to determine rheological properties of viscous fluid reinforced with unidirectional continuous fibers. Fluid viscosity is described by a shear thinning model and high viscosity is considered for continuous fibers having considerable rigidity compared to net fluid. The microstructure is identified by a representative volume element that is subjected to equivalent macroscopic deformation fields. The energy balance and periodicity conditions are considered to relate deformation and stress in macro and micro-levels. It is shown that response of viscous fluid reinforced with rigid fibers depends on deformation history as well as rate-of-deformation in the transverse intraply shear and transverse squeeze flows. An orthotropic viscous constitutive equation is derived to describe response of such materials. The material viscosities are evaluated for viscous fluid reinforced with different fiber volume fractions during deformation applied in different rates of deformation. The results are used to derive the functions predicting effective anisotropic viscosities of reinforced fluid.     

An unsymmetric constitutive equation for anisotropic viscoelastic fluid

A continuum constitutive theory of corotational derivative type is developed for the anisotropic viscoelastic fluid–liquid crystalline (LC) polymers. A concept of anisotropic viscoelastic simple fluid is introduced. The stress tensor instead of the velocity gradient tensor D in the classic Leslie–Ericksen theory is described by the first Rivlin–Ericksen tensor A and a spin tensor W measured with respect to a co-rotational coordinate system. A model LCP-H on this theory is proposed and the characteristic unsymmetric behaviour of the shear stress is predicted for LC polymer liquids. Two shear stresses thereby in shear flow of LC polymer liquids lead to internal vortex flow and rotational flow. The conclusion could be of theoretical meaning for the modern liquid crystalline display technology. By using the equation, extrusion–extensional flows of the fluid are studied for fiber spinning of LC polymer melts, the elongational viscosity vs. extension rate with variation of shear rate is given in figures. A considerable increase of elongational viscosity and bifurcation behaviour are observed when the orientational motion of the director vector is considered. The contraction of extrudate of LC polymer melts is caused by the high elongational viscosity. For anisotropic viscoelastic fluids, an important advance has been made in the investigation on the constitutive equation on the basis of which a series of new anisotropic non-Newtonian fluid problems can be addressed. The project supported by the National Natural Science Foundation of China (10372100, 19832050) (Key project). The English text was polished by Yunming Chen.     

Bauschinger and size effects in thin-film plasticity due to defect-energy of geometrical necessary dislocations

The Bauschinger and size effects in the thinfilm plasticity theory arising from the defect-energy of geometrically necessary dislocations (GNDs) are analytically investigated in this paper. Firstly, this defect-energy is deduced based on the elastic interactions of coupling dislocations (or pile-ups) moving on the closed neighboring slip plane. This energy is a quadratic function of the GNDs density, and includes an elastic interaction coefficient and an energetic length scale L. By incorporating it into the work- conjugate strain gradient plasticity theory of Gurtin, an energetic stress associated with this defect energy is obtained, which just plays the role of back stress in the kinematic hardening model. Then this back-stress hardening model is used to investigate the Bauschinger and size effects in the tension problem of single crystal Al films with passivation layers. The tension stress in the film shows a reverse dependence on the film thickness h. By comparing it with discrete-dislocation simulation results, the length scale L is determined, which is just several slip plane spacing, and accords well with our physical interpretation for the defect- energy. The Bauschinger effect after unloading is analyzed by combining this back-stress hardening model with a friction model. The effects of film thickness and pre-strain on the reversed plastic strain after unloading are quantified and qualitatively compared with experiment results.     

增量型各向异性损伤理论与数值分析

考虑到目前各向异性损伤理论存在一些不足,该文在增量型各向异性损伤理论的框架下,引入二阶对称张量,构造四阶对称有效损伤张量,建立了有效应力方程．类似于塑性流动分析方法,定义了增量弹性应力．应变关系．利用von Mises塑性屈服准则,并考虑各向异性损伤效应,推导出四阶对称的弹．塑性变形损伤刚度张量,其对称性反映了材料的固有特性．根据物体的变形和现时损伤状态,构造了材料损伤演化方程,方程中各项具有明确的物理意义．通过对A12024-T3金属薄板单向拉伸的有限元分析,确定了损伤演化参数,验证了损伤演化方程的正确性．此外还对含孔口薄板做有限元模拟,讨论了反力—位移曲线的变化规律以及它所揭示变形性质,给出了损伤场的分布规律。     

泡沫流体的剪应力与法向应力差

本文在同时考虑表面张力与粘性力的情况下,以三维模型—长菱形十二面体及泡沫的应力张量表达式为基础,得出了泡沫的剪应力及法向应力差表达式,并通过计算机进行了求解,讨论了泡沫粘度、泡沫大小等因素对剪应力及法向应力差的影响。 实验使用了 RMS-605 大型流交仪、RV-2 流变仪及毛细管流变仪测定泡沫流变特性。消除了表面滑移影响后得到的剪应力与法向应力表数据与理论结果较接近,说明理论模型具有一定的实用价值。     

On a finite-strain viscoplastic law coupled with anisotropic damage: theoretical formulations and numerical applications

Based on a dissipation inequality at finite strains and the effective stress concept, a Chaboche-type infinitesimal viscoplastic theory is extended to finite-strain cases coupled with anisotropic damage. The anisotropic damage is described by a rank-two symmetric tensor. The constitutive law is formulated in the corotational material coordinate system. Thus, the evolution equations of all internal variables can be expressed in terms of their material time derivatives. The numerical algorithm for implementing the material model in a finite element programme is also formulated, and several numerical examples are shown. Comparing the numerical simulations with experimental observations indicates that the present material model can describe well the primary, secondary and tertiary creep. It can also predict the anisotropic damage modes observed in experiments correctly.     

Thermomechanical modeling of the thermo-order-mechanical coupling behaviors in liquid crystal elastomers

Liquid crystal elastomer is a kind of anisotropic polymeric material, with complicated micro-structures and thermo-order-mechanical coupling behaviors. In this paper, we propose a method to systematically model these coupling behaviors. We derive the constitutive model in full tensor structure according to the Clausius-Duhem inequality. Two of the constitutive equations represent the mechanical equilibrium and the other two represent the phase equilibrium. Choosing the total free energy as the combination of the neo-classical free energy and the Landau-de Gennes nematic free energy, we obtain the Cauchy stress-deformation gradient relation and the order-mechanical coupling equations. We find the analytical homogeneous solutions of the deformation for the typical mechanical loadings, such as uniaxial stretch, and simple shear in any directions. We also compare the compression behavior of prolate liquid crystal elastomers with the stretch behavior of oblate liquid crystal elastomers. As a result, the stress, strain, temperature, order parameter, biaxiality and the direction of the director of liquid crystal elastomers couple with each other. When the prolate liquid crystal elastomer sample is stretched in the direction parallel to its director, the deviatoric stress makes the mesogens more order and increase the transition temperature. When the sample is sheared or stretched in the direction non-parallel to the director, the director of the liquid crystal elastomer will rotate, and the biaxiality will be induced. Because of the order-mechanical coupling, under infinitesimal deformation, liquid crystal elastomer has anisotropic Young’s modulus and zero shear modulus in the direction parallel or perpendicular to the director. While for the oblate liquid crystal elastomers, the stretch parallel to the director will cause the rotation of the director and induce the biaxiality.     

Microstructure constitutive equation for discotic nematic liquid crystalline materials –

The rheological material functions predicted by a previously selected constitutive equation (CE) for discotic mesophases are presented. The predicted relations among rheological properties, shear-induced microstructure, processing conditions and material parameters of discotic mesophases are characterized and discussed. The first and second normal stress differences corresponding to planar (i.e., 2-D orientation) microstructure mode of discotic nematics are found to be qualitatively similar to those for rod-like nematics despite the existing differences in flow-orientation characteristics. The first (second) normal stress difference for discotic mesophases corresponding to non-planar (i.e., 3-D orientation) microstructure mode is always positive (positive or negative depending on viscous effects) and is found to be due to flow-induced biaxiality. The effect of change in nematic potential (or temperature) on rheological properties of discotic mesophases is also presented. The apparent shear viscosities for various microstructure modes and material properties are also presented and shown to agree qualitatively with the available experimental data. Though only restricted validation of the predicted results with the actual experimental data of discotics is possible, the present study provides essential theoretical feedback to the on-going experimental work being pursued in understanding the processing behavior of mesophase pitches. Received: 24 February 1998 Accepted: 15 May 1998     

The evolution of Hooke's law due to texture development in FCC polycrystals

Initially isotropic aggregates of crystalline grains show a texture-induced anisotropy of both their inelastic and elastic behavior when submitted to large inelastic deformations. The latter, however, is normally neglected, although experiments as well as numerical simulations clearly show a strong alteration of the elastic properties for certain materials. The main purpose of the work is to formulate a phenomenological model for the evolution of the elastic properties of cubic crystal aggregates. The effective elastic properties are determined by orientation averages of the local elasticity tensors. Arithmetic, geometric, and harmonic averages are compared. It can be shown that for cubic crystal aggregates all of these averages depend on the same irreducible fourth-order tensor, which represents the purely anisotropic portion of the effective elasticity tensor. Coupled equations for the flow rule and the evolution of the anisotropic part of the elasticity tensor are formulated. The flow rule is based on an anisotropic norm of the stress deviator defined by means of the elastic anisotropy. In the evolution equation for the anisotropic part of the elasticity tensor the direction of the rate of change depends only on the inelastic rate of deformation. The evolution equation is derived according to the theory of isotropic tensor functions. The transition from an elastically isotropic initial state to a (path-dependent) final anisotropic state is discussed for polycrystalline copper. The predictions of the model are compared with micro–macro simulations based on the Taylor–Lin model and experimental data.     

A formulation of anisotropic continuum elastoplasticity at finite strains. Part I: Modelling

A constitutive model for anisotropic elastoplasticity at finite strains is developed together with its numerical implementation. An anisotropic elastic constitutive law is described in an invariant setting by use of structural tensors and the elastic strain measure C_e. The elastic strain tensor as well as the structural tensors are assumed to be invariant in relation to superimposed rigid body rotations. An anisotropic Hill-type yield criterion, described by a non-symmetric Eshelby-like stress tensor and further structural tensors, is developed, where use is made of representation theorems for functions with non-symmetric arguments. The model also considers non-linear isotropic hardening. Explicit results for the specific case of orthotropic anisotropy are given. The associative flow rule is employed and the features of the inelastic flow rule are discussed in full. It is shown that the classical definition of the plastic material spin is meaningless in conjunction with the present formulation. Instead, the study motivates an alternative definition, which is based on the demand that such a quantity must be dissipation-free, as the plastic material spin is in the case of isotropy. Equivalent spatial formulations are presented too. The full numerical treatment is considered in Part II.     

Viscous Fingering Instability in Porous Media: Effect of Anisotropic Velocity-Dependent Dispersion Tensor

The viscous fingering of miscible flow displacements in a homogeneous porous media is examined to determine the effects of an anisotropic dispersion tensor on the development of the instability. In particular, the role of velocity-dependent transverse and longitudinal dispersions is investigated through linear stability analysis and nonlinear simulations. It is found that an isotropic velocity-dependent dispersion tensor does not affect substantially the development of the instability and effectively has the same effect as molecular diffusion. On the other hand, an anisotropic velocity-dependent dispersion tensor results in different instability characteristics and more intricate finger structures. It is shown that anisotropic dispersion has profound effects on the development of the fingers and on the mechanisms of interactions between neighboring fingers. The development of the new finger structures is explained by examining the velocity field and characterized qualitatively through a spectral analysis of the average concentration and an analysis of the variations of the sweep efficiency and relative contact area.     

On the basic laws of anisotropic viscoelasticity

The main aim of this work is to develop a consistent formulation of the rheological behavior for different anisotropic polymer systems. The unified theory of anisotropic viscoelasticity is developed based on the symmetry principles. The Maxwell rheological equation is extended to nonsymmetric anisotropic liquids. Transitions from the most general anisotropy to particular cases of anisotropy are established. It appears that the coupled relaxation of symmetric and antisymmetric stresses is a natural phenomenon in nonsymmetric viscoelasticity. Within the concept of an internal state variable, a stress–order relation is derived for a fully nonlinear case. The order tensor dynamics is also considered. A simple method of deriving the equation of the internal rotational motion is developed for the general macroscopic anisotropy. This paper was presented at the 3rd Annual Rheology Conference, AERC 2006, April 27–29, 2006, Crete, Greece