Kayaking and wagging of rods in shear flow

For the first time, we have simulated the periodic collective orientational motions performed by rigid liquid-crystalline polymers with large aspect ratio in the nematic state in shear flow. In order to be able to do so, we developed a new, event-driven Brownian dynamics technique. We present the results of simulations of rods with aspect ratios L/d ranging from 20 to 60 at volume fractions phi given by Lphi/d = 3.5 and 4.5. By studying the path of the director, i.e., the average direction of the rods, we observe kayaking, wagging, flow aligning, and log-rolling type of orbits, depending on the parameters of the simulation and the initial orientation. We find that the tumbling periods depend on Lphi/d and the shear rate but not on the type of motion. Our simulation results qualitatively confirm theoretical predictions and are in good agreement with the experimental measurements of tumbling times of fd viruses.     

Stable dynamic states at the nematic liquid crystals in weak shear flow

We study stable equilibria of liquid crystals in the flow being at rest and the stable dynamic states for nematic liquid crystals under weak shear flow for the Doi model [M. Doi, S.F. Edwards, The Theory of Polymer Dynamics, Oxford University Press, 1986]. It is first theoretically proven that there is a hysteresis phenomenon in the flow being at rest when the non-dimensional potential intensity among particles changes. Furthermore, in the weak shear flow, we show that there exist many stable dynamic states: flow aligning, tumbing, log-rolling and kayaking, which depend on the initial concentrated orientation of liquid crystal particles. The results are consistent with those of numerical simulation [M.G. Forest, Q. Wang, R. Zhou, The weak shear kinetic phase diagram for nematic polymers, Rheol. Acta 43 (2004) 17-37; M.G. Forest, R. Zhou, Q.Wang, Full-tensor alignment criteria for sheared nematic polymers, J. Rheol. 47 (2003) 105-127] and experimental discoveries [W.R. Burghardt, Molecular orientation and rheology in sheared lyotropic liquid crystalline polymers, Macromol. Chem. Phys. 199 (1998) 471-488; Ch. Gähwiller, Temperature dependence of flow alignment in nematic liquid crystals, Phys. Rev. Lett. 28 (1972) 1554-1556]. Theoretical analysis is reported the first time that the Kayaking state does not circulate around a fixed direction but the asymmetric axis will periodically change.     

Non-equilibrium relaxation and tumbling times of polymers in semidilute solution

The end-over-end tumbling dynamics of individual polymers in dilute and semidilute solutions is studied under shear flow by large-scale mesoscale hydrodynamic simulations. End-to-end vector relaxation times are determined along the flow, gradient, and vorticity directions. Along the flow and gradient directions, the correlation functions decay exponentially with sinusoidal modulations at short times. In dilute solution, the decay times of the various directions are very similar. However, in semidilute solutions, the relaxation behaviors are rather different along the various directions, with the longest relaxation time in the vorticity direction and the shortest time in the flow direction. The various relaxation times exhibit a power-law shear-rate dependence with the exponent -?2/3 at high shear rates. Quantitatively, the relaxation times are equal to the tumbling times extracted from cross-correlation functions of fluctuations of radius-of-gyration components along the flow and gradient direction.     

On the effect of an applied magnetic field on the shear-induced pattern formation in nematic polymer liquid crystals

The effect of an applied magnetic field and of the boundaries on the stability of the shear flow of nematic polymer liquid crystals of the tumbling type with respect to the formation of the transient spatially periodic patterns that appears after the start-up of shearing is studied. The unidirectional shear of a nematic director initially uniformly oriented orthogonally to the sample plane and with strong anchoring is considered. The magnetic field is applied orthogonally to the sample plane or in the same direction of the flow. For a given value of the Ericksen number of the flow a critical value of the magnetic-to-viscous energy ratio shows up above which the uniform flow is stable. When the influence of the boundaries may be neglected, an internal Ericksen number that stays constant in a given material is considered such that the wavelength of the periodic pattern is a self-adjusted length. An internal generalized Ericksen number is defined such that it is a universal function of the magnetic-to-viscous energy ratio.To the memory of my mother     

Shear alignment behavior of nematic solutions induced by ultralong side-group liquid crystal polymers

Addition of a low concentration of a very long (430 kg/mol) side group liquid crystal polymer is shown to produce dramatic changes in the flow characteristics of a calamitic nematic liquid crystal. This polymer causes a typical flow-aligning nematic liquid crystal to align near the velocity gradient direction rather than near the velocity direction, corresponding to having a tumbling parameter lambda<-1, for concentrations greater than 7.5% polymer. Such flow-aligning behavior has not been reported previously in a calamitic nematic. The large molecular weight of the present polymer relative to those examined in the prior literature is responsible for these new phenomena.     

Semiflexible polymers in shear flow

The dynamics of semiflexible polymers under the influence of shear flow is studied analytically. Power laws are derived for various conformational and dynamical quantities which are in agreement with experimental findings. In particular, the tumbling motion is analyzed and expressions are provided for the probability distributions of the orientation angles and the tumbling time. The calculations explain the similarities in the behavior of flexible and semiflexible polymers as well as free-draining and nondraining systems.     

Steady States of Sheared Active Nematics

A continuum hydrodynamic model has been used to characterize flowing active nematics. The behavior of such a system subjected to a weak steady shear is analyzed. We explore the director structures and flow behaviors of the system in flow-aligning and flow tumbling regimes. Combining asymptotic analysis and numerical simulations, we extend previous studies to give a complete characterization of the steady states for both contractile and extensile particles in flow-aligning and flow-tumbling regimes. Another key prediction of this work is the role of the system size on the steady states of an active nematic system: if the system size is small, the velocity and the director angle files for both flow-tumbling contractile and extensile systems are similar to those of passive nematics; if the system is big, the velocity and the director angle files for flow-aligning contractile systems and tumbling extensile systems are akin to sheared passive cholesterics while they are oscillatory for flow-aligning extensile and tumbling contractile systems.     

Dynamics of nearly spherical vesicles in an external flow

Tank-treading, tumbling, and trembling are different types of the vesicle behavior in an external flow. We derive a dynamical equation enabling us to establish a state of nearly spherical vesicles. For a 2D external flow, the character of the vesicle dynamics is determined by two dimensionless parameters, depending on the vesicle excess area, fluid viscosities, membrane viscosity and bending modulus, strength of the flow, and ratio of the elongational and rotational components of the flow. The tank-treading to tumbling transition occurs via a saddle-node bifurcation, whereas the tank-treading to trembling transition occurs via a Hopf bifurcation. A slowdown of vesicle dynamics should be observed in a vicinity of a point separating the transition lines. We show that the slowdown can be described by a power law with two different critical exponents 1/4 and 1/2 corresponding to the slowdown of tumbling and trembling cycles.     

Mesoscale hydrodynamics simulations of particle suspensions under shear flow: From hard to ultrasoft colloids

We discuss the nonequilibrium properties of rodlike and ultrasoft, star-polymer like colloidal particles in shear flow. Conformational, dynamical, as well as rheological aspects are addressed for a broad range of concentrations. For concentrated solutions of rodlike colloids, we study the nonequilibrium properties of a phase separated system, where a disordered phase coexists with a nematic phase. For starlike polymers we consider systems of various functionality, starting from linear polymers. The individual rods, polymers, or stars exhibit an intriguing dynamical behavior, which determines their macroscopic rheological properties. Despite the diversity on the colloidal level, the various systems exhibit a qualitatively similar macroscopic behavior, e.g., shear thinning, yet with some quantitative differences.     

Chaotic boundaries of nematic polymers in mixed shear and extensional flows

Chaotic orientational dynamics of sheared nematic polymers is documented in laboratory experiments and predicted by Doi-Hess kinetic theory for infinitely thin rods. We address robustness of rheochaos when simple shear is modified by a planar straining flow, and the macromolecules have finite aspect ratio. We predict persistence of sheared chaotic response up to a threshold straining flow strength and minimum aspect ratio, beyond which chaotic behavior is arrested. More intriguing, a straining component can induce chaos from periodic shear responses.     

Structure and frustration in liquid crystalline polyacrylates I. Bulk behaviour

The phase behaviour and structure are reported of a new type of frustrated side-chain liquid crystalline (LC) polymer, a polyacrylate with phenylbenzoate mesogenic side groups and a narrow polydispersity. At a high degree of polymerisation the LC polymers show a nematic, a smectic-A_d, a re-entrant nematic and a C phase, for shorter chains only a nematic and a C phase. This constitutes a new example of nematic re-entrance for which the driving field is the length of the polymer chain. The smectic-A_d layers consist of partially overlapped side groups while in the C phase the side chains are rearranged into chevron-like blocks of bilayers. We propose an explanation of the frustrated phase behaviour in terms of these two different competing length scales and their coupling to the backbone conformations. Received 28 February 2001 and Received in final form 6 August 2001     

Elastic capsules in shear flow: Analytical solutions for constant and time-dependent shear rates

We investigate the dynamics of microcapsules in linear shear flow within a reduced model with two degrees of freedom. In previous work for steady shear flow, the dynamic phases of this model, i.e. swinging, tumbling and intermittent behaviour, have been identified using numerical methods. In this paper, we integrate the equations of motion in the quasi-spherical limit analytically for time-constant and time-dependent shear flow using matched asymptotic expansions. Using this method, we find analytical expressions for the mean tumbling rate in general time-dependent shear flow. The capsule dynamics is studied in more detail when the inverse shear rate is harmonically modulated around a constant mean value for which a dynamic phase diagram is constructed. By a judicious choice of both modulation frequency and phase, tumbling motion can be induced even if the mean shear rate corresponds to the swinging regime. We derive expressions for the amplitude and width of the resonance peaks as a function of the modulation frequency.     

Accurate statistics of a flexible polymer chain in shear flow

We present exact and analytically accurate results for the problem of a flexible polymer chain in shear flow. Under such a flow the polymer tumbles, and the probability distribution of the tumbling times tau of the polymer decays exponentially as approximately exp(-alphatau/tau_{0}) (where tau_{0} is the longest relaxation time). We show that for a Rouse chain this nontrivial constant alpha can be calculated in the limit of a large Weissenberg number (high shear rate) and is in excellent agreement with our simulation result of alpha approximately 0.324. We also derive exactly the distribution functions for the length and the orientational angles of the end-to-end vector R of the polymer.     

Nematic ordering in a cell with modulated surface anchoring: effects of flexoelectricity

We have analyzed molecular ordering in a nematic sample sandwiched between two parallel substrates, characterized by a periodically varying anchoring easy axis. If the periodicity lambda is smaller than the Debye screening length l(D) and the nematic material possesses flexoelectric properties, it is necessary to take into account also the electrostatic and flexoelectric contributions in the thermodynamical potential when the actual director field is determined. In this framework, for small deviations from the homeotropic alignment we have derived analytical expressions for the tilt angle (theta) and the electrical potential. To establish a connection with experimentally observable quantities, we have related the theta profile to the average and investigated its behavior for different values of lambda, the flexoelectric coefficient, and the anchoring strength w. Our results indicate that in a nematic with pronounced flexoelectric properties for small enough lambda, a kind of subsurface deformation appears, which substantially decreases . Therefore, effects of flexoelectricity cannot be neglected in treating nematic cells with modulated anchoring which allows bistable ordering.     

Vacillating breathing and tumbling of vesicles under shear flow

The dynamics of vesicles under a shear flow are analyzed analytically in the small deformation regime. We derive two coupled nonlinear equations which describe the vesicle orientation in the flow and its shape evolution. A new type of motion is found, namely, a "vacillating-breathing" mode: the vesicle orientation undergoes an oscillation around the flow direction, while the shape executes breathing dynamics. This solution coexists with tumbling. Moreover, we provide an explicit expression for the tumbling threshold. A rheological law for a dilute vesicle suspension is outlined.     

Effect of shear on phase-ordering dynamics with order-parameter-dependent mobility: the large-n limit

The effect of shear on the ordering kinetics of a conserved order-parameter system with O(n) symmetry and order-parameter-dependent mobility Gamma(straight phi-->) approximately (1-straight phi-->(2)/n)(alpha) is studied analytically within the large-n limit. In the late stage, the structure factor becomes anisotropic and exhibits multiscaling behavior with characteristic length scales (t(2alpha+5)/ln t)(1/2(alpha+2)) in the flow direction and (t/ln t)(1/2(alpha+2)) in directions perpendicular to the flow. As in the alpha=0 case, the structure factor in the shear-flow plane has two parallel ridges.     

Improved measurement of the form factors in the decay lambda+c-->lambda + nue

Using the CLEO detector at the Cornell Electron Storage Ring, we have studied the distribution of kinematic variables in the decay lambda(+)(c)lambda--> e(+)nu(e). By performing a four-dimensional maximum likelihood fit, we determine the form factor ratio, R= f(2)/f(1) = -0.31 +/- 0.05(stat) +/- 0.04(syst), the pole mass, M(pole) = [2.21 +/- 0.08(stat) +/- 0.14(syst)] GeV/c(2), and the decay asymmetry parameter of the lambda(+)(c), alpha (lambda(c)) = -0.86 +/-0.03(stat) +/- 0.02(syst), for q(2) = 0.67 (GeV/c(2))(2). We compare the angular distributions of the lambda(+)(c) and lambda(-)(c) and find no evidence for CP violation: A(lambda(c)) = (alpha(lambda(c)) + alpha (lambda(c)))/(alpha(lambda(c))-alpha(lambda(c))) = 0.00 +/- 0.03(stat) +/- 0.01(syst) +/- 0.02, where the third error is from the uncertainty in the world average of the CP-violating parameter, A(lambda), for ppi(-).     

Inertial mass of the Abrikosov vortex

We show that a large contribution to the inertial mass of the Abrikosov vortex comes from transversal displacements of the crystal lattice. The corresponding part of the mass per unit length of the vortex line is M(l)=(m(2)(e)c(2)/64 pi alpha(2)mu lambda(4)(L))ln((lambda(L)/xi), where m(e) is the bare electron mass, c is the speed of light, alpha=e(2)/Planck's over 2 pi c approximately 1/137 is the fine structure constant, mu is the shear modulus of the solid, lambda(L) is the London penetration length, and xi is the coherence length. In conventional superconductors, this mass can be comparable to or even greater than the vortex core mass computed by Suhl [Phys. Rev. Lett. 14, 226 (1965)]].     

Structure and rheology of concentrated wormlike micelles [4]at the shear-induced isotropic-to-nematic transition

We have investigated the simple shear flow behavior of wormlike micelles using small-angle neutron scattering and mechanical measurements. Ternary surfactant solutions made of cetylpyridinium chloride, hexanol and brine (0.2 M NaCl) and hereafter abbreviated as CPCl-Hex were studied in the concentrated regime, . In a preliminary report (Berret et al. [#!ref16!#]), the discontinuity of slope observed in the shear stress versus shear rate curve was interpreted in terms of first-order phase transition between an isotropic state and a shear-induced nematic state ( transition). At the transition rate, , the solution exhibits a macroscopic phase separation into viscous and fluid layers (inhomogeneous shear flow). Above a second characteristic shear rate, the flow becomes homogeneous again, the sheared solution being nematic only. The neutron patterns obtained in the two-state inhomogeneous region have been re-examined. Based on a consistent analysis of both orientational and translational degrees of freedom related to the wormlike micelles, we emphasize new features for the transition. In the present paper, the shear rate variations of the relative proportions of each phase in the two-state region, as well as the viscosity ratio between isotropic and nematic phases are derived. We demonstrate in addition that slightly above the transition rate, the shear induced nematic phase is already strongly oriented, with an order parameter P ₂ = 0.65. The orientational state is that of a nematic flow-oriented monodomain. Finally, from the locations of the neutron scattering maxima for each isotropic and nematic contributions, we evaluate the concentrations for each phase and and derived a dynamical phase diagram of CPCl-Hex, in terms of the stress versus and . According to the classification by Schmitt et al. [#!ref22!#], the transition observed in CPCl-Hex micellar solutions could result from a positive flow-concentration coupling, in agreement with the observed monotonically increasing shear stress in the two-phase region. Received: 16 February 1998 / Revised: 18 February 1998 / Accepted: 24 May 1998     

Influence of the nematic order on the rheology and conformation of stretched comb-like liquid crystalline polymers

We have studied the rheology and the conformation of stretched comb-like liquid-crystalline polymers. Both the influence of the comb-like structure and the specific effect of the nematic interaction on the dynamics are investigated. For this purpose, two isomers of a comb-like polymetacrylate polymer, of well-defined molecular weights, were synthesized: one displays a nematic phase over a wide range of temperature, the other one has only an isotropic phase. Even with high degrees of polymerization N, between 40 and 1000, the polymer chains studied were not entangled. The stress-strain curves during the stretching and relaxation processes show differences between the isotropic and nematic comb-like polymers. They suggest that, in the nematic phase, the chain dynamics is more cooperative than for a usual linear polymer. Small-angle neutron scattering has been used in order to determine the evolution of the chain conformation after stretching, as a function of the duration of relaxation t _r. The conformation can be described with two parameters only: , the global deformation of the polymer chain, and p, the number of statistical units of locally relaxed sub-chains. For the comb-like polymer, the chain deformation is pseudo-affine: is always smaller than (the deformation ratio of the whole sample). In the isotropic phase, has a constant value, while pincreases as tr. This latter behavior is not that expected for non-entangled chains, in which p varies as t _r ^1/2 (Rouse model). In the nematic phase, decreases as a stretched exponential function of t _r, while p remains constant. The dynamics of the comb-like polymers is discussed in terms of living clusters from which junctions are produced by interactions between side chains. The nematic interaction increases the lifetime of these junctions and, strikingly, the relaxation is the same at all scales of the whole polymer chain. Received 5 May 1999 and Received in final form 18 October 1999