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We investigate the effect of knot type on the properties of a ring polymer confined to a slit. For relatively wide slits, the more complex the knot, the more the force exerted by the polymer on the walls is decreased compared to an unknotted polymer of the same length. For more narrow slits the opposite is true. The crossover between these two regimes is, to first order, at smaller slit width for more complex knots. However, knot topology can affect these trends in subtle ways. Besides the force exerted by the polymers, we also study other quantities such as the monomer-density distribution across the slit and the anisotropic radius of gyration., Comment: 9 pages, 6 figures, submitted for publication

We investigate the wetting properties of surfaces patterned with fine elastic hairs, with an emphasis on identifying superhydrophobic states on hydrophilic hairs. We formulate a two dimensional model of a large drop in contact with a row of equispaced elastic hairs and, by minimising the free energy of the model, identify the stable and metastable states. In particular we concentrate on "partially suspended" states, where the hairs bend to support the drop -- singlet states where all hairs bend in the same direction, and doublet states where neighbouring hairs bend in opposite directions -- and find the limits of stability of these configurations in terms of material contact angle, hair flexibility, and system geometry. The drop can remain suspended in a singlet state at hydrophilic contact angles, but doublets exist only when the hairs are hydrophobic. The system is more likely to evolve into a singlet state if the hairs are inclined at the root. We discuss how, under limited circumstances, the results can be modified to describe an array of hairs in three dimensions. We find that now both singlets and doublets can exhibit superhydrophobic behaviour on hydrophilic hairs. We discuss the limitations of our approach and the directions for future work.

We use mesoscale simulations to study the depinning of a receding contact line on a superhydrophobic surface patterned by a regular array of posts. In order that the simulations are feasible, we introduce a novel geometry where a column of liquid dewets a capillary bounded by a superhydrophobic plane which faces a smooth hydrophilic wall of variable contact angle. We present results for the dependence of the depinning angle on the shape and spacing of the posts, and discuss the form of the meniscus at depinning. We find, in agreement with [17], that the local post concentration is a primary factor in controlling the depinning angle, and show that the numerical results agree well with recent experiments. We also present two examples of metastable pinned configurations where the posts are partially wet., Comment: Revised version accepted for publication in Langmuir

We investigate the dynamics of micron-scale drops pushed across a hydrophobic or superhydrophobic surface. The velocity profile across the drop varies from quadratic to linear with increasing height, indicating a crossover from a sliding to a rolling motion. We identify a mesoscopic slip capillary number which depends only on the motion of the contact line and the shape of the drop, and show that the angular velocity of the rolling increases with increasing viscosity. For drops on superhydrophobic surfaces we argue that a tank treading advance from post to post replaces the diffusive relaxation that allows the contact line to move on smooth surfaces. Hence drops move on superhydrophobic surfaces more quickly than on smooth geometries.

Coarse-grained simulations are used to demonstrate that knotted filaments in shear flow at zero Reynolds number exhibit remarkably rich dynamic behaviour. For stiff filaments that are weakly deformed by the shear forces, the knotted filaments rotate like rigid objects in the flow. But away from this regime the interplay between between shear forces and the flexibility of the filament leads to intricate regular and chaotic modes of motion that can be divided into distinct families. The set of accessible mode families depends to first order on a dimensionless number that relates the filament length, the elastic modulus, the friction per unit length and the shear rate., Comment: 6 pages, 6 figures

We use mesoscale simulations to demonstrate the feasibility of a novel microfluidic valve, which exploits Gibbs' pinning in microchannels patterned by posts or ridges, together with electrowetting., Comment: to appear in Soft Matter

We investigate the dynamics of capillary filling using two lattice Boltzmann schemes: a liquid-gas model and a binary model. The simulation results are compared to the well-known Washburn's law, which predicts that the filled length of the capillary scales with time as $l \propto t^{1/2}$. We find that the liquid-gas model does not reproduce Washburn's law due to condensation of the gas phase at the interface, which causes the asymptotic behaviour of the capillary penetration to be faster than $t^{1/2}. The binary model, on the other hand, captures the correct scaling behaviour when the viscosity ratio between the two phases is sufficiently high., Comment: 9 pages, 7 figures, DSFD 2007 proceedings

We present and interpret simulation results showing how a fluid moves on a hydrophilic substrate patterned by a square array of triangular posts. We demonstrate that the shape of the posts leads to anisotropic spreading, and discuss how this is influenced by the different ways in which the posts can pin the advancing front., Comment: 12 pages, 8 figures

We investigate the capillary filling of three dimensional micro-channels with surfaces patterned by posts of square cross section. We show that pinning on the edges of the posts suppresses, and can halt, capillary filling. We stress the importance of the channel walls in controlling whether filling can occur. In particular for channels higher than the distance between adjacent posts, filling occurs for contact angles less than a threshold angle \sim 55 deg., independent of the height of the channel., Comment: To appear in Phys. Rev. E

We use computer simulations to compare the dynamical behaviour of torus and even-twist knots in polymers under tension. The knots diffuse through a mechanism similar to reptation. Their friction coefficients grow linearly with average knot length for both knot types. For similar complexity, however, the torus knots diffuse faster than the even twist knots. The knot-length auto-correlation function exhibits a slow relaxation time that can be linked to a breathing mode. Its timescale depends on knot type, being typically longer for torus than for even-twist knots. These differences in dynamical behaviour are interpreted in terms of topological features of the knots., Comment: 6 pages, 8 figures

We review recent numerical work investigating the equilibrium phase diagram, and the dynamics, of the cholesteric blue phases. In equilibrium numerical results confirm the predictions of the classic analytical theories, and extend them to incorporate different values of the elastic constants, or the effects of an applied electric field. There is a striking increase in the stability of blue phase I in systems where the cholesteric undergoes helical sense inversion, and the anomalous electrostriction observed in this phase is reproduced. Solving the equations of motion allows us to present results for the phase transition kinetics of blue phase I under dielectric or flexoelectric coupling to an applied electric field. We also present simulations of the blue phases in a flow field, showing how the disclination network acts to oppose the flow. The results are based on the Landau-de Gennes exapnsion of the liquid crystal free energy: that such a simple and elegant theory can predict such complex and subtle physical behaviour is remarkable., Comment: 27 pages, 9 figures, to appear in a special issue of Liquid Crystals

We model an infinitely long liquid bridge confined between two plates chemically patterned by stripes of same width and different contact angle, where the three-phase contact line runs, on average, perpendicular to the stripes. This allows us to study the corrugation of a contact line in the absence of pinning. We find that, if the spacing between the plates is large compared to the length scale of the surface patterning, the cosine of the macroscopic contact angle corresponds to an average of cosines of the intrinsic angles of the stripes, as predicted by the Cassie equation. If, however, the spacing becomes of order the length scale of the pattern there is a sharp crossover to a regime where the macroscopic contact angle varies between the intrinsic contact angle of each stripe, as predicted by the local Young equation. The results are obtained using two numerical methods, Lattice Boltzmann (a diffuse interface approach) and Surface Evolver (a sharp interface approach), thus giving a direct comparison of two popular numerical approaches to calculating drop shapes when applied to a non-trivial contact line problem. We find that the two methods give consistent results if we take into account a line tension in the free energy. In the lattice Boltzmann approach, the line tension arises from discretisation effects at the diffuse three phase contact line., Comment: 17 pages, 6 figures, accepted for publication in Langmuir

We consider the equilibrium behaviour and dynamics of liquid drops on a superhydrophobic surface patterned with sawtooth ridges or posts. Due to the anisotropic geometry of the surface patterning, the contact line can preferentially depin from one side of the ratchets, leading to a novel, partially suspended, superhydrophobic state. In both this configuration, and the collapsed state, the drops show strong directional contact angle hysteresis as they are pushed across the surface. The easy direction is, however, different for the two states. This observation allows us to interpret recent experiments describing the motion of water drops on butterfly wings., Comment: 4 pages, 4 figures

We present a numerical study of the effect of knotting on the ejection of flexible and semiflexible polymers from a spherical, virus-like capsid. The polymer ejection rate is primarily controlled by the knot, which moves to the hole in the capsid and then acts as a ratchet. Polymers with more complex knots eject more slowly and, for large knots, the knot type, and not the flexibility of the polymer, determines the rate of ejection. We discuss the relation of our results to the ejection of DNA from viral capsids and conjecture that this process has the biological advantage of unknotting the DNA before it enters a cell., Comment: 4 pages, 5 figures

We show that, when a single relaxation time lattice Boltzmann algorithm is used to solve the hydrodynamic equations of a binary fluid for which the two components have different viscosities, strong spurious velocities in the steady state lead to incorrect results for the equilibrium contact angle. We identify the origins of these spurious currents, and demonstrate how the results can be greatly improved by using a lattice Boltzmann method based on a multiple-relaxation-time algorithm. By considering capillary filling we describe the dependence of the advancing contact angle on the interface velocity., Comment: 10 pages, 5 figures

Continuum hydrodynamic models of active liquid crystals have been used to describe dynamic self-organising systems such as bacterial swarms and cytoskeletal gels. A key prediction of such models is the existence of self-stabilising kink states that spontaneously generate fluid flow in quasi-one dimensional channels. Using simple stability arguments and numerical calculations we extend previous studies to give a complete characterisation of the phase space for both contractile and extensile particles (ie pullers and pushers) moving in a narrow channel as a function of their flow alignment properties and initial orientation. This gives a framework for unifying many of the results in the literature. We describe the response of the kink states to an imposed shear, and investigate how allowing the system to be polar modifies its dynamical behaviour., Comment: 6 pages, 6 figures; submitted to Europhysics Letters

We describe the consequences of time reversal invariance of the Stokes' equations for the hydrodynamic scattering of two low Reynolds number swimmers. For swimmers that are related to each other by a time reversal transformation this leads to the striking result that the angle between the two swimmers is preserved by the scattering. The result is illustrated for the particular case of a linked-sphere model swimmer. For more general pairs of swimmers, not related to each other by time reversal, we find hydrodynamic scattering can alter the angle between their trajectories by several tens of degrees. For two identical contractile swimmers this can lead to the formation of a bound state., Comment: 4 pages, 3 figures

We show how the capillary filling of microchannels is affected by posts or ridges on the sides of the channels. Ridges perpendicular to the flow direction introduce contact line pinning which slows, or sometimes prevents, filling; whereas ridges parallel to the flow provide extra surface which may enhances filling. Patterning the microchannel surface with square posts has little effect on the ability of a channel to fill for equilibrium contact angle $\theta_e \lesssim 30^{\mathrm{o}}$. For $\theta_e \gtrsim 60^{\mathrm{o}}$, however, even a small number of posts can pin the advancing liquid front., Comment: 4 pages, 4 figures

We study numerically the rheological properties of a slab of active gel close o the isotropic-nematic transition. The flow behavior shows strong dependence on sample size, boundary conditions, and on the bulk constitutive curve, which, on entering the nematic phase, acquires an activity-induced discontinuity at the origin. The precursor of this within the metastable isotropic phase for contractile systems ({\em e.g.,} actomyosin gels) gives a viscosity divergence; its counterpart for extensile ({\em e.g.,} {\em B. subtilis}) suspensions admits instead a shear-banded flow with zero apparent viscosity., Comment: 4 pages, 5 figures

We investigate the way in which oscillating dumb-bells, a simple microscopic model of apolar swimmers, move at low Reynold's number. In accordance with Purcell's Scallop Theorem a single dumb-bell cannot swim because its stroke is reciprocal in time. However the motion of two or more dumb-bells, with mutual phase differences, is not time reversal invariant, and hence swimming is possible. We use analytical and numerical solutions of the Stokes equations to calculate the hydrodynamic interaction between two dumb-bell swimmers and to discuss their relative motion. The cooperative effect of interactions between swimmers is explored by considering first regular, and then random arrays of dumb-bells. We find that a square array acts as a micropump. The long time behaviour of suspensions of dumb-bells is investigated and compared to that of model polar swimmers., Comment: 6 pages, 3 figures

The spreading of liquid drops on surfaces corrugated with micron-scale parallel grooves is studied both experimentally and numerically. Because of the surface patterning, the typical final drop shape is no longer spherical. The elongation direction can be either parallel or perpendicular to the direction of the grooves, depending on the initial drop conditions. We interpret this result as a consequence of both the anisotropy of the contact line movement over the surface and the difference in the motion of the advancing and receding contact lines. Parallel to the grooves, we find little hysteresis due to the surface patterning and that the average contact angle approximately conforms to Wenzel's law as long as the drop radius is much larger than the typical length scale of the grooves. Perpendicular to the grooves, the contact line can be pinned at the edges of the ridges leading to large contact angle hysteresis., Comment: 22 pages, 10 figures, accepted for publication in Langmuir

We investigate the transition between the Cassie-Baxter and Wenzel states of a slowly evaporating, micron-scale drop on a superhydrophobic surface. In two dimensions analytical results show that there are two collapse mechanisms. For long posts the drop collapses when it is able to overcome the free energy barrier presented by the hydrophobic posts. For short posts, as the drop loses volume, its curvature increases allowing it to touch the surface below the posts. We emphasise the importance of the contact line retreating across the surface as the drop becomes smaller: this often preempts the collapse. In a quasi-three dimensional simulation we find similar behaviour, with the additional feature that the drop can de-pin from all but the peripheral posts, so that its base resembles an inverted bowl., Comment: 6 pages, 7 figures

We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently ``extensile'' rods, in the case of flow-aligning liquid crystals, and for sufficiently ``contractile'' ones for flow-tumbling materials. In a quasi-1D geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, re-arrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of ``convection rolls''. These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behaviour of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behaviour of active nematics., Comment: 18 eps figures, accepted for publication in Phys. Rev. E

We describe the occurence and properties of liquid crystal phases showing two dimensional splay and bend distortions which are stabilised by flexoelectric interactions. These phases are characterised by regions of locally double splayed order separated by topological defects and are thus highly analogous to the blue phases of cholesteric liquid crystals. We present a mean field analysis based upon the Landau--de Gennes Q-tensor theory and construct a phase diagram for flexoelectric structures using analytic and numerical results. We stress the similarities and discrepancies between the cholesteric and flexoelectric cases., Comment: 4 pages, accepted for publication in Phys. Rev. Lett

Active liquid crystals or active gels are soft materials which can be physically realised e.g. by preparing a solution of cytoskeletal filaments interacting with molecular motors. We study the hydrodynamics of an active liquid crystal in a slab-like geometry with various boundary conditions, by solving numerically its equations of motion via lattice Boltzmann simulations. In all cases we find that active liquid crystals can sustain spontaneous flow in steady state contrarily to their passive counterparts, and in agreement with recent theoretical predictions. We further find that conflicting anchoring conditions at the boundaries lead to spontaneous flow for any value of the 'activity' parameter, while with unfrustrated anchoring at all boundaries spontaneous flow only occurs when the activity exceeds a critical threshold. We finally discuss the dynamic pathway leading to steady state in a few selected cases., Comment: 17 pages, 6 figures, accepted for publication in J. non-Newt. Fluid Mech

We investigate the hydrodynamic interactions between microorganisms swimming at low Reynolds number. By considering simple model swimmers, and combining analytic and numerical approaches, we investigate the time-averaged flow field around a swimmer. At short distances the swimmer behaves like a pump. At large distances the velocity field depends on whether the swimming stroke is invariant under a combined time-reversal and parity transformation. We then consider two swimmers and find that the interaction between them consists of two parts; a dead term, independent of the motion of the second swimmer, which takes the expected dipolar form and a live term resulting from the simultaneous swimming action of both swimmers which does not. We argue that, in general, the latter dominates. The swimmer--swimmer interaction is a complicated function of their relative displacement, orientation and phase, leading to motion that can be attractive, repulsive or oscillatory., Comment: 6 pages, 4 figures

We employ three numerical methods to explore the motion of low Reynolds number swimmers, modeling the hydrodynamic interactions by means of the Oseen tensor approximation, lattice Boltzmann simulations and multiparticle collision dynamics. By applying the methods to a three bead linear swimmer, for which exact results are known, we are able to compare and assess the effectiveness of the different approaches. We then propose a new class of low Reynolds number swimmers, generalized three bead swimmers that can change both the length of their arms and the angle between them. Hence we suggest a design for a microstructure capable of moving in three dimensions. We discuss multiple bead, linear microstructures and show that they are highly efficient swimmers. We then turn to consider the swimming motion of elastic filaments. Using multiparticle collision dynamics we show that a driven filament behaves in a qualitatively similar way to the micron-scale swimming device recently demonstrated by Dreyfus et al., Comment: 12 pages, 10 figures

We investigate contact angle hysteresis on chemically patterned and superhydrophobic surfaces, as the drop volume is quasi-statically increased and decreased. We consider both two, and three, dimensions using analytical and numerical approaches to minimise the free energy of the drop. In two dimensions we find, in agreement with other authors, a slip, jump, stick motion of the contact line. In three dimensions this behaviour persists, but the position and magnitude of the contact line jumps are sensitive to the details of the surface patterning. In two dimensions we identify analytically the advancing and receding contact angles on the different surfaces and we use numerical insights to argue that these provide bounds for the three dimensional cases. We present explicit simulations to show that a simple average over the disorder is not sufficient to predict the details of the contact angle hysteresis, and to support an explanation for the low contact angle hysteresis of suspended drops on superhydrophobic surfaces., Comment: 41 pages, 16 figures, submitted to publication

We explore numerically the feasibility of using chemical patterning to control the size and polydispersity of micron-scale drops. The simulations suggest that it is possible to sort drops by size or wetting properties by using an array of hydrophilic stripes of different widths. We also demonstrate that monodisperse drops can be generated by exploiting the pinning of a drop on a hydrophilic stripe. Our results follow from using a lattice Boltzmann algorithm to solve the hydrodynamic equations of motion of the drops and demonstrate the applicability of this approach as a design tool for micofluidic devices with chemically patterned surfaces., Comment: 16 pages, 4 figures, accepted for publication in Langmuir

We present an investigation of the phase diagram of cholesteric liquid crystals within the framework of Landau - de Gennes theory. The free energy is modified to incorporate all three Frank elastic constants and to allow for a temperature dependent pitch in the cholesteric phase. It is found that the region of stability of the cubic blue phases depends significantly on the value of the elastic constants, being reduced when the bend elastic constant is larger than splay and when twist is smaller than the other two. Most dramatically we find a large increase in the region of stability of blue phase I, and a qualitative change in the phase diagram, in a system where the cholesteric phase displays helix inversion., Comment: 15 pages, 6 figures

Targets consisting of 3,4He implanted into thin aluminum foils (approximately 100, 200 or 600 ug/cm^2) were prepared using intense (a few uA) helium beams at low energy (approximately 20, 40 or 100 keV). Uniformity of the implantation was achieved by a beam raster across a 12 mm diameter tantalum collimator at the rates of 0.1 Hz in the vertical direction and 1 Hz in the horizontal direction. Helium implantation into the very thin (approximately 80-100 ug/cm^2) aluminum foils failed to produce useful targets (with only approximately 10% of the helium retained) due to an under estimation of the range by the code SRIM. The range of low energy helium in aluminum predicted by Northcliffe and Shilling and the NIST online tabulation are observed on the other hand to over estimate the range of low energy helium ions in aluminum. An attempt to increase the amount of helium by implanting a second deeper layer was also carried out, but it did not significantly increase the helium content beyond the blistering limit (approximately 6 x 10^17 helium/cm^2). The implanted targets were bombarded with moderately intense 4He and 16O beams of 50-100 particle nA . Rutherford Back Scattering of 1.0 and 2.5 MeV proton beams and recoil helium from 15.0 MeV oxygen beams were used to study the helium content and profile before, during and after bombardments. We observed the helium content and profile to be very stable even after a prolonged bombardment (up to two days) with moderately intense beams of 16O or 4He. Helium implanted into thin (aluminum) foils is a good choice for thin helium targets needed, for example, for a measurement of the 3he(a,g)7Be reaction and the associated S34 astrophysical cross section factor (S-factor)., Comment: Submitted to the New Online Journal of Instrumentation, JINST. Work Supported by USDOE Grant Nos: DE-FG02-94ER40870, DE-FG02-91ER40609, DE-FG02-97ER41033, and DE-FG02-97ER41046

We use a mesoscale simulation approach to explore the impact of different capsid geometries on the packaging and ejection dynamics of polymers of different flexibility. We find that both packing and ejection times are faster for flexible polymers. For such polymers a sphere packs more quickly and ejects more slowly than an ellipsoid. For semiflexible polymers, however, the case relevant to DNA, a sphere both packs and ejects more easily. We interpret our results by considering both the thermodynamics and the relaxational dynamics of the polymers. The predictions could be tested with bio-mimetic experiments with synthetic polymers inside artificial vesicles. Our results suggest that phages may have evolved to be roughly spherical in shape to optimise the speed of genome ejection, which is the first stage in infection., Comment: 4 pages, 4 figures

We use a lattice Boltzmann method to study pattern formation in chemically reactive binary fluids in the regime where hydrodynamic effects are important. The coupled equations solved by the method are a Cahn-Hilliard equation, modified by the inclusion of a reactive source term, and the Navier-Stokes equations for conservation of mass and momentum. The coupling is two-fold, resulting from the advection of the order-parameter by the velocity field and the effect of fluid composition on pressure. We study the the evolution of the system following a critical quench for a linear and for a quadratic reaction source term. Comparison is made between the high and low viscosity regimes to identify the influence of hydrodynamic flows. In both cases hydrodynamics is found to influence the pathways available for domain growth and the eventual steady-states., Comment: 15 pages, 21 figure

Blue phases of cholesteric liquid crystals offer a spectacular example of naturally occurring disclination line networks. Here we numerically solve the hydrodynamic equations of motion to investigate the response of three types of blue phases to an imposed Poiseuille flow. We show that shear forces bend and twist and can unzip the disclination lines. Under gentle forcing the network opposes the flow and the apparent viscosity is significantly higher than that of an isotropic liquid. With increased forcing we find strong shear thinning corresponding to the disruption of the defect network. As the viscosity starts to drop, the imposed flow sets the network into motion. Disclinations break-up and re-form with their neighbours in the flow direction. This gives rise to oscillations in the time-dependent measurement of the average stress., Comment: 4 pages, 4 figures

We use a free energy lattice Boltzmann approach to investigate numerically the dynamics of drops moving across superhydrophobic surfaces. The surfaces comprise a regular array of posts small compared to the drop size. For drops suspended on the posts the velocity increases as the number of posts decreases. We show that this is because the velocity is primarily determined by the contact angle which, in turn, depends on the area covered by posts. Collapsed drops, which fill the interstices between the posts, behave in a very different way. The posts now impede the drop behaviour and the velocity falls as their density increases., Comment: 7 pages, 4 figures, accepted for publication in Europhys. Lett

We compare numerical and experimental results exploring the behaviour of liquid drops moving across a surface patterned with hydrophobic and hydrophilic stripes. A lattice Boltzmann algorithm is used to solve the hydrodynamic equations of motion of the drops allowing us to investigate their behaviour as the stripe widths and the wettability contrast are altered. We explain how the motion of the drop is determined by the interplay between the driving force and the variation in surface force as the drop moves between regions of different contact angle and we find that the shape of the drops can undergo large periodic deviations from spherical. When compared, the numerical results agree well with experiments on micron--scale drops moving across substrates patterned by microcontact printing., Comment: 7 pages, 3 figures, Accepted for publication in Europhys. Lett

We explore how chemical patterning on surfaces can be used to control drop wetting. Both numerical and experimental results are presented to show how the dynamic pathway and equilibrium shape of the drops are altered by a hydrophobic grid. The grid proves a successful way of confining drops and we show that it can be used to alleviate {\it mottle}, a degradation in image quality which results from uneven drop coalescence due to randomness in the positions of the drops within the jetted array., Comment: 3 pages, 4 figures

We study the switching dynamics in two-domain and four-domain twisted nematic liquid crystal devices. The equilibrium configuration of these devices involves the coexistence of regions characterised by different handedness of the inherent director twist. At the boundaries between these regions there are typically disclinations lines. The dynamics of the disclination lines controls the properties, and in particular the switching speed, of the devices. We describe their motion using a numerical solution of the Beris-Edwards equations of liquid crystal hydrodynamics. Hence we are able to explain why a conventional two-domain device switches off slowly and to propose a device design which circumvents this problem. We also explain the patterns of disclination creation and annihilation that lead to switching in the four-domain twisted nematic device., Comment: 7 pages, 5 figures. Accepted for publication in Europhys. Lett

We present a lattice Boltzmann solution of the equations of motion describing the spreading of droplets on topologically patterned substrates. We apply it to model superhydrophobic behaviour on surfaces covered by an array of micron-scale posts. We find that the patterning results in a substantial increase in contact angle, from $110^o$ to $156^o$. The dynamics of the transition from drops suspended on top of the posts to drops collapsed in the grooves is described., Comment: 17 pages, 6 figures. Accepted for publication in Langmuir

We study the static properties of cubic blue phases by numerically minimising the three-dimensional, Landau-de Gennes free energy for a cholesteric liquid crystal close to the isotropic-cholesteric phase transition. Thus we are able to refine the powerful but approximate, semi-analytic frameworks that have been used previously. We obtain the equilibrium phase diagram and discuss it in relation to previous results. We find that the value of the chirality above which blue phases appear is shifted by 20% (towards experimentally more accessible regions) with respect to previous estimates. We also find that the region of stability of the O5 structure -- which has not been observed experimentally -- shrinks, while that of BP I (O8-) increases thus giving the correct order of appearance of blue phases at small chirality. We also study the approach to equilibrium starting from the infinite chirality solutions and we find that in some cases the disclination network has to assemble during the equilibration. In these situations disclinations are formed via the merging of isolated aligned defects., Comment: 16 pages, 5 figures. Accepted for publication in Phys. Rev. E

We consider pattern formation in periodically forced binary systems. In particular we focus on systems in which the two species are differentially forced, one being accelerated with respect to the other. Using a continuum model consisting of two isothermal ideal gases which interact via a frictional force we demonstrate analytically that stripes form spontaneously above a critical forcing amplitude. The wavelength of the stripes is found to be close to the wavelength of sound in the limit of small viscosity. The results are confirmed numerically. We suggest that the same mechanism may contribute to the formation of stripes in experiments on horizontally oscillated granular mixtures., Comment: 4 Pages, 3 Figures

We use lattice Boltzmann simulations to solve the Beris-Edwards equations of motion for a cholesteric liquid crystal subjected to Poiseuille flow along the direction of the helical axis (permeative flow). The results allow us to clarify and extend the approximate analytic treatments currently available. We find that if the cholesteric helix is pinned at the boundaries there is an enormous viscosity increase. If, instead, the helix is free the velocity profile is flattened but the viscosity is essentially unchanged. We highlight the importance of secondary flows and, for higher flow velocities, we identify a flow-induced double twist structure in the director field -- reminiscent of the texture characteristic of blue phases., Comment: 4 pages, 3 figures, accepted for publication in Phys. Rev. Lett

We present a lattice Boltzmann model to describe the spreading of droplets on topologically patterned substrates. We apply it to model superhydrophobic behaviour on surfaces covered by an array of micron-scale posts. We find that the patterning results in a substantial increase in contact angle, from $110^o$ to $156^o$., Comment: 10 pages, 4 figures, to be presented at the ICCS2004 Workshop on Multi-Physics Multi-Scale Simulation

We describe a lattice Boltzmann algorithm to simulate liquid crystal hydrodynamics in three dimensions. The equations of motion are written in terms of a tensor order parameter. This allows both the isotropic and the nematic phases to be considered. Backflow effects and the hydrodynamics of topological defects are naturally included in the simulations, as are viscoelastic effects such as shear-thinning and shear-banding. We describe the implementation of velocity boundary conditions and show that the algorithm can be used to describe optical bounce in twisted nematic devices and secondary flow in sheared nematics with an imposed twist., Comment: 12 pages, 3 figures

We use lattice Boltzmann simulations of the Beris--Edwards formulation of nematodynamics to probe the response of a nematic liquid crystal with conflicting anchoring at the boundaries under shear and Poiseuille flow. The geometry we focus on is that of the hybrid aligned nematic (HAN) cell, common in devices. In the nematic phase, backflow effects resulting from the elastic distortion in the director field render the velocity profile strongly non-Newtonian and asymmetric. As the transition to the isotropic phase is approached, these effects become progressively weaker. If the fluid is heated just above the transition point, however, another asymmetry appears, in the dynamics of shear band formation., Comment: 7 pages, 4 figures. Accepted for publication in Europhys. Lett

We report experiments investigating the behaviour of micron-scale fluid droplets jetted onto surfaces patterned with lyophobic and lyophilic stripes. The final droplet shape depends on the droplet size relative to that of the stripes. In particular when the droplet radius is of the same order as the stripe width, the final shape is determined by the dynamic evolution of the drop and shows a sensitive dependence on the initial droplet position and velocity. Numerical solutions of the dynamical equations of motion of the drop provide a close quantitative match to the experimental results. This proves helpful in interpreting the data and allows for accurate prediction of fluid droplet behaviour for a wide range of surfaces., Comment: 14 pages, accepted for publication in Langmuir

We use a three-dimensional lattice Boltzmann model to investigate the spreading of mesoscale droplets on homogeneous and heterogeneous surfaces. On a homogeneous substrate the base radius of the droplet grows with time as $t^{0.28}$ for a range of viscosities and surface tensions. The time evolutions collapse onto a single curve as a function of a dimensionless time. On a surface comprising of alternate hydrophobic and hydrophilic stripes the wetting velocity is anisotropic and the equilibrium shape of the droplet reflects the wetting properties of the underlying substrate., Comment: 10 pages, Lattice Boltzmann workshop in ICCS03 conference, to be published in LNCS

We investigate the properties of stochastic rotation dynamics (Malevanets-Kapral method), a mesoscopic model used for simulating fluctuating hydrodynamics. Analytical results are given for the transport coefficients. We discuss the most efficient way of measuring the transport properties and obtain excellent agreement between the theoretical and numerical calculations., Comment: 12 pages, 9 figures, submitted to J. Chem. Phys

We study the growth of aligned domains in nematic liquid crystals. Results are obtained solving the Beris-Edwards equations of motion using the lattice Boltzmann approach. Spatial anisotropy in the domain growth is shown to be a consequence of the flow induced by the changing order parameter field (backflow). The generalization of the results to the growth of a cylindrical domain, which involves the dynamics of a defect ring, is discussed., Comment: 12 revtex-style pages, including 12 figures; small changes before publication