Dynamics of two trapped Brownian particles: Shear-induced cross-correlations

The dynamics of two Brownian particles trapped by two neighboring harmonic potentials in a linear shear flow is investigated. The positional correlation functions in this system are calculated analytically and analyzed as a function of the shear rate and the trap distance. Shear-induced cross-correlations between particle fluctuations along orthogonal directions in the shear plane are found. They are linear in the shear rate, asymmetric in time, and occur for one particle as well as between both particles. Moreover, the shear rate enters as a quadratic correction to the well-known correlations of random displacements along parallel spatial directions. The correlation functions depend on the orientation of the connection vector between the potential minima with respect to the flow direction. As a consequence, the inter-particle cross-correlations between orthogonal fluctuations can have zero, one or two local extrema as a function of time. Possible experiments for detecting these predicted correlations are described.     

Tagged particle fluctuations in uniform shear flow

The nonlinear Boltzmann and Boltzmann-Lorentz equations are used to describe the dynamics of a tagged particle in a nonequilibrium gas. For the special case of Maxwell molecules with uniform shear flow, an exact set of equations for the average position and velocity, and their fluctuations, is obtained. The results apply for arbitrary magnitude of the shear rate and include the effects of viscous heating. A generalization of Onsager's assumption of the regression of fluctuations is found to apply for the relationship between the equations for the average dynamics and those for the time correlation functions. The connection between fluctuations and dissipation is described by the equations for the equal-time correlation function. The source term in these equations indicates that the “noise” in this nonequilibrium state is qualitatively different from that in equilibrium, or even local equilibrium. These equations are solved to determine the velocity autocorrelation function as a function of the shear rate.     

A Monte-Carlo study of equilibrium polymers in a shear flow

We use an off-lattice microscopic model for solutions of equilibrium polymers (EP) in a lamellar shear flow generated by means of a self-consistent external field between parallel hard walls. The individual conformations of the chains are found to elongate in flow direction and shrink perpendicular to it while the average polymer length decreases with increasing shear rate. The Molecular Weight Distribution of the chain lengths retains largely its exponential form in dense solutions whereas in dilute solutions it changes from a power-exponential Schwartz distribution to a purely exponential one upon an increase of the shear rate. With growing shear rate the system becomes increasingly inhomogeneous so that a characteristic variation of the total monomer density, the diffusion coefficient, and the center-of-mass distribution of polymer chains of different contour length with the velocity of flow is observed. At higher temperature, as the average chain length decreases significantly, the system is shown to undergo an order-disorder transition into a state of nematic liquid crystalline order with an easy direction parallel to the hard walls. The influence of shear flow on this state is briefly examined. Received 22 October 1998 and Received in final form 12 April 1999     

Effects of oscillatory shear flow on chain-like cluster dynamics in ferrofluids without magnetic fields

Brownian dynamics simulations of interacting magnetic particles in a quasi-two-dimensional ferrofluid system are performed at zero temperature, under the influence of oscillatory shear flow in the absence of external magnetic fields. Starting from chain-like clusters of the particles, we study the time-dependent behavior of both magnetization and microstructures of the ferrofluid by changing values of two parameters, the shear rate strength and frequency of oscillatory shear flow. Simulation results show that there are three different dynamical regimes for the chain clusters dynamics, depending on these two parameters. Scaling behavior of the asymptotic magnetization is also observed for a certain range of parameters.     

Dynamics of viscous vesicles in shear flow

The dynamics of giant lipid vesicles under shear flow is experimentally investigated. Consistent with previous theoretical and numerical studies, two flow regimes are identified depending on the viscosity ratio between the interior and the exterior of the vesicle, and its reduced volume or excess surface. At low viscosity ratios, a tank-treading motion of the membrane takes place, the vesicle assuming a constant orientation with respect to the flow direction. At higher viscosity ratios, a tumbling motion is observed in which the whole vesicle rotates with a periodically modulated velocity. When the shear rate increases, this tumbling motion becomes increasingly sensitive to vesicle deformation due to the elongational component of the flow and significant deviations from simpler models are observed. A good characterization of these various flow regimes is essential for the validation of analytical and numerical models, and to relate microscopic dynamics to macroscopic rheology of suspensions of deformable particles, such as blood.     

Heterogeneous shear in hard sphere glasses

There is growing evidence that the flow of driven amorphous solids is not homogeneous, even if the macroscopic stress is constant across the system. Via event-driven molecular dynamics simulations of a hard sphere glass, we provide the first direct evidence for a correlation between the fluctuations of the local volume fraction and the fluctuations of the local shear rate. Higher shear rates do preferentially occur at regions of lower density and vice versa. The temporal behavior of fluctuations is governed by a characteristic time scale, which, when measured in units of strain, is independent of shear rate in the investigated range. Interestingly, the correlation volume is also roughly constant for the same range of shear rates. A possible connection between these two observations is discussed.     

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.     

Shear-flow-induced unfolding of polymeric globules

The behavior of a single collapsed polymer under shear flow is examined using hydrodynamic simulations and scaling arguments. Below a threshold shear rate gamma[.]{*}, the chain remains collapsed and only deforms slightly, while above gamma[.]{*} the globule exhibits unfolding/refolding cycles. Hydrodynamics are crucial: In the free draining case, gamma[.]{*} scales with the globule radius R as gamma[.]{*} approximately R{-1}, while in the presence of hydrodynamic interactions gamma[.]{*} approximately R. Experiments on the globular von Willebrand protein confirm the presence of an unfolding transition at a well-defined critical shear rate.     

流场环境下复杂囊泡的动力学行为

采用非平衡态分子动力学方法研究了二维复杂囊泡在剪切流中的动力学行为. 模拟发现了复杂囊泡经典的翻滚(tumbling)、摇摆(trembling)和坦克履(tank-treading)行为, 还观察到由坦克履行为向平动行为(translating)的转变. 囊泡的平动行为与剪切率大小、复杂囊泡的形状密切相关. 当大囊泡均匀嫁接较多数目的小囊泡后, 其平动方式消失. 该研究有益于加深对囊泡在剪切流场中复杂性行为的理解.     

Experimental Study of Sheared Poloidal Flows in a Linear Plasma Machine

The radial profiles of fluctuations have been investigated in the Santander Linear Plasma Machine (SLPM). Experimental evidence of significant poloidal and E×B sheared flow has been observed in the plasma periphery. The resulting shearing rate of poloidal flow is comparable to the inverse of the correlation time of fluctuations, and the radial correlation is significantly reduced in the shear layer location. The possible role of flows driven by fluctuations and electron temperature gradients to explain these results is at present under investigation.     

Crystal nucleation of colloidal suspensions under shear

We use Brownian dynamics simulations in combination with the umbrella sampling technique to study the effect of shear flow on homogeneous crystal nucleation. We find that a homogeneous shear rate leads to a significant suppression of the crystal nucleation rate and to an increase of the size of the critical nucleus. A simple, phenomenological extension of classical nucleation theory accounts for these observations. The orientation of the crystal nucleus is tilted with respect to the shear direction.     

Cyclic motion of a grafted polymer under shear flow

The long-time dynamics of a single end-tethered chain under shear flow are studied using molecular and Brownian dynamics simulations of a flexible polymer. As observed in previous experiments with tethered DNA [Phys. Rev. Lett. 84, 4769 (2000)], under a flow sheared at constant rate the chain performs a cyclic motion. But, contrary to what has been previously suggested, a well-defined characteristic period exists and it is clearly revealed in the cross spectra of the chain extension along flow and gradient directions. The main cycling time scales like the time needed to stretch the polymer by convection, being about 10 times the relaxation time of the chain in flow. This coherent recursive motion introduces long memory in the fluid and suggests resonance effects under periodic external forcing.     

Three-dimensional imaging of colloidal glasses under steady shear

Using fast confocal microscopy we image the three-dimensional dynamics of particles in a yielded hard-sphere colloidal glass under steady shear. The structural relaxation, observed in regions with uniform shear, is nearly isotropic but is distinctly different from that of quiescent metastable colloidal fluids. The inverse relaxation time tau(alpha)(-1) and diffusion constant D, as functions of the local shear rate gamma*, show marked shear thinning with tau(alpha)(-1) proportional to D proportional to gamma*(0.8) over more than two decades in gamma*. In contrast, the global rheology of the system displays Herschel-Bulkley behavior. We discuss the possible role of large scale shear localization and other mechanisms in generating this difference.     

Structure of a tethered polymer under flow using molecular dynamics and hybrid molecular-continuum simulations

We analyse the structure of a single polymer tethered to a solid surface undergoing a Couette flow. We study the problem using molecular dynamics (MD) and hybrid MD-continuum simulations, wherein the polymer and the surrounding solvent are treated via standard MD, and the solvent flow farther away from the polymer is solved by continuum fluid dynamics (CFD). The polymer represents a freely jointed chain (FJC) and is modelled by Lennard-Jones (LJ) beads interacting through the FENE potential. The solvent (modelled as a LJ fluid) and a weakly attractive wall are treated at the molecular level. At large shear rates the polymer becomes more elongated than predicted by existing theoretical scaling laws. Also, along the normal-to-wall direction the structure observed for the FJC is, surprisingly, very similar to that predicted for a semiflexible chain. Comparison with previous Brownian dynamics simulations (which exclude both solvent and wall potential) indicates that these effects are due to the polymer–solvent and polymer–wall interactions. The hybrid simulations are in perfect agreement with the MD simulations, showing no trace of finite size effects. Importantly, the extra cost required to couple the MD and CFD domains is negligible.     

Fluctuations in granular media

Dense slowly evolving or static granular materials exhibit strong force fluctuations even though the spatial disorder of the grains is relatively weak. Typically, forces are carried preferentially along a network of "force chains." These consist of linearly aligned grains with larger-than-average force. A growing body of work has explored the nature of these fluctuations. We first briefly review recent work concerning stress fluctuations. We then focus on a series of experiments in both two- and three-dimension [(2D) and (3D)] to characterize force fluctuations in slowly sheared systems. Both sets of experiments show strong temporal fluctuations in the local stress/force; the length scales of these fluctuations extend up to 10(2) grains. In 2D, we use photoelastic disks that permit visualization of the internal force structure. From this we can make comparisons to recent models and calculations that predict the distributions of forces. Typically, these models indicate that the distributions should fall off exponentially at large force. We find in the experiments that the force distributions change systematically as we change the mean packing fraction, gamma. For gamma's typical of dense packings of nondeformable grains, we see distributions that are consistent with an exponential decrease at large forces. For both lower and higher gamma, the observed force distributions appear to differ from this prediction, with a more Gaussian distribution at larger gamma and perhaps a power law at lower gamma. For high gamma, the distributions differ from this prediction because the grains begin to deform, allowing more grains to carry the applied force, and causing the distributions to have a local maximum at nonzero force. It is less clear why the distributions differ from the models at lower gamma. An exploration in gamma has led to the discovery of an interesting continuous or "critical" transition (the strengthening/softening transition) in which the mean stress is the order parameter, and the mean packing fraction, gamma, must be adjusted to a value gamma(c) to reach the "critical point." We also follow the motion of individual disks and obtain detailed statistical information on the kinematics, including velocities and particle rotations or spin. Distributions for the azimuthal velocity, V(theta), and spin, S, of the particles are nearly rate invariant, which is consistent with conventional wisdom. Near gamma(c), the grain motion becomes intermittent causing the mean velocity of grains to slow down. Also, the length of stress chains grows as gamma-->gamma(c). The 3D experiments show statistical rate invariance for the stress in the sense that when the power spectra and spectral frequencies of the stress time series are appropriately scaled by the shear rate, Omega, all spectra collapse onto a single curve for given particle and sample sizes. The frequency dependence of the spectra can be characterized by two different power laws, P proportional, variant omega(-alpha), in the high and low frequency regimes: alpha approximately 2 at high omega; alpha<2 at low omega. The force distributions computed from the 3D stress time series are at least qualitatively consistent with exponential fall-off at large stresses. (c) 1999 American Institute of Physics.     

Spatiotemporal dynamics of shear induced bands en route to rheochaos

We show experimentally that the route to rheochaos in shear rate relaxation measurements is via Type-III intermittency and mixed mode oscillations in the shear-thinning wormlike micellar system of cetyltrimethylammonium tosylate in the presence of salt sodium chloride. Depolarised small angle light scattering measurements performed during flow show that scattered intensity temporally follows the shear rate/stress dynamics and portrays the crucial role played by nematic ordering. Direct visualization of the gap of the Couette cell, illuminated by an unpolarised laser sheet, in the (vorticity, velocity gradient) plane shows that the spatiotemporal dynamics of the shear induced structures is closely related to the temporal behaviour of shear rate/stress fluctuations.     

Nonaxisymmetric anisotropy of solar wind turbulence

A key prediction of turbulence theories is frame-invariance, and in magnetohydrodynamic (MHD) turbulence, axisymmetry of fluctuations with respect to the background magnetic field. Paradoxically the power in fluctuations in the turbulent solar wind are observed to be ordered with respect to the bulk macroscopic flow as well as the background magnetic field. Here, nonaxisymmetry across the inertial and dissipation ranges is quantified using in situ observations from Cluster. The observed inertial range nonaxisymmetry is reproduced by a "fly through" sampling of a direct numerical simulation of MHD turbulence. Furthermore, fly through sampling of a linear superposition of transverse waves with axisymmetric fluctuations generates the trend in nonaxisymmetry with power spectral exponent. The observed nonaxisymmetric anisotropy may thus simply arise as a sampling effect related to Taylor's hypothesis and is not related to the plasma dynamics itself.     

Some remarks on the chain segment dynamics in confined polymers

Recently, the chain dynamics of molten polymers in confined geometries has been investigated, using NMR. Some of these experiments have been performed on poydimethylsiloxane (PDMS) confined in planar nanolayers involving non-adsorbant solid surfaces. Here the data obtained on various PDMS systems are compared. The common property to these systems is that the local dynamics is anisotropic and the chain segments are undergoing uniaxial fluctuations around the normal n to the layers. Our data clearly show that the sign of the degree of orientational order S ( i.e. the direction of the fluctuations around n) and the broadening of the order distribution P( S) both result from the relative influence of the impenetrable interfaces and anchoring junctions on the segment behaviour.     

Inhomogeneous low frequency spin dynamics in La(1.65)Eu(0.2)Sr(0.15)CuO(4)

We report Cu and La nuclear magnetic resonance measurements in the title compound that reveal an inhomogeneous glassy behavior of the spin dynamics. A low temperature peak in the La spin lattice relaxation rate and the "wipeout" of Cu intensity both arise from these slow electronic spin fluctuations that reveal a distribution of activation energies. Inhomogeneous slowing of spin fluctuations appears to be a general feature of doped lanthanum cuprate.     

Effective swimming strategies in low Reynolds number flows

The optimal strategy for a microscopic swimmer to migrate across a linear shear flow is discussed. The two cases, in which the swimmer is located at large distance, and in the proximity of a solid wall, are taken into account. It is shown that migration can be achieved by means of a combination of sailing through the flow and swimming, where the swimming strokes are induced by the external flow without need of internal energy sources or external drives. The structural dynamics required for the swimmer to move in the desired direction is discussed and two simple models, based respectively on the presence of an elastic structure, and on an orientation dependent friction, to control the deformations induced by the external flow, are analyzed. In all cases, the deformation sequence is a generalization of the tank-treading motion regimes observed in vesicles in shear flows. Analytic expressions for the migration velocity as a function of the deformation pattern and amplitude are provided. The effects of thermal fluctuations on propulsion have been discussed and the possibility that noise be exploited to overcome the limitations imposed on the microswimmer by the scallop theorem have been discussed.