We present nonlinear dynamic equations for nematic and smectic $A$ liquid crystals in the presence of an alternating electric field and explain their derivation in detail. The local electric field acting in any liquid-crystalline system is expressed as a sum of external electric field and the fields originating from feedback of liquid crystal order parameter, and a field, created by charged impurities. The system tends to decrease the total electric field, because it lowers the energy density. This basically nonlinear problem is not a pure academic interest. In the realm of liquid crystals and their applications, utilized nowadays modern experimental techniques have progressed to the point where even small deviations from the linear behavior can be observed and measured with a high accuracy. Hydrodynamics is the macroscopic description of condensed matter systems in the low frequency, long wavelength limit. Nonlinear hydrodynamic equations are well established to describe simple fluids. Similar approaches (with degrees of freedom related to the broken orientational or translational symmetry included) have been used also for liquid crystals. However to study behavior of strongly perturbed well above the thresholds of various electro-hydrodynamic instabilities of liquid crystals the nonlinear equations should include soft electromagnetic degrees of freedom as well. The self-consistent derivation of the complete set of the nonlinear electro-hydrodynamic equations for liquid crystals became an actual task. The aim of our work is to present these equations, which is a mandatory step to handle any nonlinear phenomenon in liquid crystals.
We obtain hydrodynamic equations describing a fluid consisting of chiral molecules or a suspension of chiral particles in a Newtonian fluid. The stresses arising in a flowing chiral liquid have a component forbidden by symmetry in a Newtonian liquid. For example, a chiral liquid in a Poiseuille flow between parallel plates exerts forces on the plates, which are perpendicular to the flow. A generic flow results in spatial separation of particles of different chirality. Thus even a racemic suspension will exhibit chiral properties in a generic flow. A suspension of particles of random shape in a…
We solve numerically the equations of nonlinear fluctuating hydrodynamics (NFH) for the supercooled liquid. The time correlation of the density fluctuations in equilibrium obtained here shows quantitative agreement with molecular dynamics(MD) simulation data. We demonstrate numerically that the 1/rho nonlinearity in the NFH equations of motion is essential in restoring the ergodic behavior in the liquid. Under nonequilibrium conditions the time correlation functions relax in a manner similar to that observed in the molecular dynamics simulations in binary mixtures. The waiting time t_w depende…
We formulate a comprehensive hydrodynamic theory of two-dimensional liquid crystals with generic $p-$fold rotational symmetry, also known as $p-$atics, of which mematics $(p=2)$ and hexatics $(p=6)$ are the two best known examples. Previous hydrodynamic theories of $p-$atics are characrerized by continuous ${\rm O}(2)$ rotational symmetry, which is higher than the discrete rotational symmetry of $p-$atic phases. By contrast, here we demonstrate that the discrete rotational symmetry allows the inclusion of additional terms in the hydrodynamic equations, which, in turn, lead to novel phenomena, …
The correlation theory of the thermal hydrodynamic fluctuations of liquids with internal spin within a spherical cavity is developed. For the hydrodynamic fields of such a liquid, linearized equations with random thermal sources are used. For the time dependent amplitudes of the expansion of the fields in the basis functions of the vector Helmholtz equations a set of Langevin equations is obtained that allowed us, with the help of the fluctuation-dissipation theorem, to find the spectral densities of the correlation functions of the amplitudes. The spectra of the fluctuations of hydrodynamic f…
This study reveals the influence of the surface energy and solid/liquid boundary condition on the breakup mechanism of dewetting ultra-thin polymer films. Using silane self-assembled monolayers, SiO$_2$ substrates are rendered hydrophobic and provide a strong slip rather than a no-slip solid/liquid boundary condition. On undergoing these changes, the thin-film breakup morphology changes dramatically -- from a spinodal mechanism to a breakup which is governed by nucleation and growth. The experiments reveal a dependence of the hole density on film thickness and temperature. The combination of l…
We construct the hydrodynamic theory of coherent collective motion ("flocking") at a solid-liquid interface. The polar order parameter and concentration of a collection of "active" (self-propelled) particles at a planar interface between a passive, isotropic bulk fluid and a solid surface are dynamically coupled to the bulk fluid. We find that such systems are stable, and have long-range orientational order, over a wide range of parameters. When stable, these systems exhibit "giant number fluctuations", i.e., large fluctuations of the number of active particles in a fixed large area. Specifica…
Microswimmers often exhibit surprising patterns due to the nonequilibrium nature of their dynamics. Collectively, suspensions of microswimmers appear as a liquid whose properties set it apart from its passive counterpart. To understand the impact of hydrodynamic interactions on the basic statistical features of a microswimmer's liquid, we investigate its structure by means of the pair distribution function. We perform particle-based simulations of microswimmers that include steric effects, shape anisotropy, and hydrodynamic interactions. We find that hydrodynamic interactions considerably alte…
We describe the basic properties and consequences of introducing active stresses, with principal direction along the local director, in cholesteric liquid crystals. The helical ground state is found to be linearly unstable to extensile stresses, without threshold in the limit of infinite system size, whereas contractile stresses are hydrodynamically screened by the cholesteric elasticity to give a finite threshold. This is confirmed numerically and the non-linear consequences of instability, in both extensile and contractile cases, are studied. We also consider the stresses associated to defec…
Multi-particle collision dynamics is an appealing numerical technique aiming at simulating fluids at the mesoscopic scale. It considers molecular details in a coarse-grained fashion and reproduces hydrodynamic phenomena. Here, the implementation of multi-particle collision dynamics for isotropic fluids is analysed under the so-called Andersen-thermostatted scheme, a particular algorithm for systems in the canonical ensemble. This method gives rise to hydrodynamic fluctuations that spontaneously relax towards equilibrium. This relaxation process can be described by a linearized theory and used …
University of Luxembourg（卢森堡大学）；National Institute of Science Education and Research（印度国家科学教育研究所）；École Normale Supérieure（巴黎高等师范学院）；CNRS（法国国家科学研究中心）；Inserm（法国国家健康与医学研究院）；Université PSL（巴黎文理研究大学）
The generalized transport equations for a consistent description of kinetic and hydrodynamic processes in dense gases and liquids are considered. The inner structure of the generalized transport kernels for these equations is established. It is shown how in this approach to obtain the transport equation of molecular hydrodynamics. For the model potential of interaction presented as a sum of the hard spheres potential and certain long-range potential a spectrum of collective modes in the system is investigated.
Starting from a microscopic definition of an alignment vector proportional to the polarization, we discuss the hydrodynamics of polar liquid crystals with local $C_{\infty v}$-symmetry. The free energy for polar liquid crystals differs from that of nematic liquid crystals ($D_{\infty h}$) in that it contains terms violating the ${\bf{n}}\to -{\bf{n}}$ symmetry. First we show that these $\mathcal{Z}_2$-odd terms induce a general splay instability of a uniform polarized state in a range of parameters. Next we use the general Poisson-bracket formalism to derive the hydrodynamic equations of the s…
Measurements of the surface diffusivity of colloidal spheres translating along a vapor/liquid inter- face show an unexpected decrease in diffusivity, or increase in surface drag (from the Stokes-Einstein relation) when the particles situate further into the vapor phase. However, direct measurements of the surface drag from the colloid velocity due to an external force find the expected decrease with deeper immersion into the vapor. The paradoxical drag increase observed in diffusion experiments has been attributed to the attachment of the fluid interface to heterogeneities on the colloid surfa…
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 giv…
We study numerically the role of hydrodynamics in the liquid-hexatic transition of active colloids at intermediate activity, where motility induced phase separation (MIPS) does not occur. We show that in the case of active Brownian particles (ABP), the critical density of the transition decreases upon increasing the particle's mass, enhancing ordering, while self-propulsion has the opposite effect in the activity regime considered. Active hydrodynamic particles (AHP), instead, undergo the liquid-hexatic transition at higher values of packing fraction $ϕ$ than the corresponding ABP, suggesting …
Hydrodynamic behavior at the vicinity of a confining wall is closely related to the friction properties of the liquid/solid interface. Here we consider, using Molecular Dynamics simulations, the electric contribution to friction for charged surfaces, and the induced modification of the hydrodynamic boundary condition at the confining boundary. The consequences of liquid slippage for electrokinetic phenomena, through the coupling between hydrodynamics and electrostatics within the electric double layer, are explored. Strong amplification of electro-osmotic effects is revealed, and the non-trivi…
We describe a lattice Boltzmann algorithm to simulate liquid crystal hydrodynamics. 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 properties such as shear-thinning and shear-banding.
We have conducted a triple-scale simulation of liquid water by concurrently coupling atomistic, mesoscopic, and continuum models of the liquid. The presented triple-scale hydrodynamic solver for molecular liquids enables the insertion of large molecules into the atomistic domain through a mesoscopic region. We show that the triple-scale scheme is robust against the details of the mesoscopic model owing to the conservation of linear momentum by the adaptive resolution forces. Our multiscale approach is designed for molecular simulations of open domains with relatively large molecules, either in…
Freely suspended films of smectic liquid crystals are unique examples of quasi two-dimensional fluids. Mechanically stable and with quantized thickness of the order of only a few molecular layers, smectic films are ideal systems for studying fundamental fluid physics, such as collective molecular ordering, defect and fluctuation phenomena, hydrodynamics, and nonequilibrium behavior in two dimensions (2D), including serving as models of complex biological membranes. Smectic films can be drawn across openings in planar supports resulting in thin, meniscus-bounded membranes, and can also be prepa…
We present a study of the hydrodynamics of an active particle, a model squirmer, in an envi- ronment with a broken rotational symmetry: a nematic liquid crystal. By combining simulations with analytic calculations, we show that the hydrodynamic coupling between the squirmer flow field and liquid crystalline director can lead to re-orientation of the swimmers. The preferred orientation depends on the exact details of the squirmer flow field. In a steady state, pushers are shown to swim parallel with the nematic director while pullers swim perpendicular to the nematic director. This behaviour ar…
We discuss hydrodynamic forces acting on a two-dimensional liquid domain that moves laterally within a supported fluid membrane in the presence of odd viscosity. Since active rotating proteins can accumulate inside the domain, we focus on the difference in odd viscosity between the inside and outside of the domain. Taking into account the momentum leakage from a two-dimensional incompressible fluid to the underlying substrate, we analytically obtain the fluid flow induced by the lateral domain motion, and calculate the drag and lift forces acting on the moving liquid domain. In contrast to the…
Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have proved useful to provide new insights into these complex materials.
We describe the large-scale collective behavior of solutions of polar biofilaments and both stationary and mobile crosslinkers. Both mobile and stationary crosslinkers induce filament alignment promoting either polar or nematic order. In addition, mobile crosslinkers, such as clusters of motor proteins, exchange forces and torques among the filaments and render the homogeneous states unstable via filament bundling. We start from a Smoluchowski equation for rigid filaments in solutions, where pairwise crosslink-mediated interactions among the filaments yield translational and rotational current…
If a liquid is cooled rapidly to form a glass, its structural relaxation becomes retarded, producing a drastic increase in viscosity. In two dimensions, strong long-wavelength fluctuations persist, even at low temperature, making it difficult to evaluate the microscopic structural relaxation time. This Letter shows that, in a 2D glass-forming liquid, relative displacement between neighbor particles yields a relaxation time that grows in proportion to the viscosity. In addition to thermal elastic vibrations, hydrodynamic fluctuations are found to affect the long-wavelength dynamics, yielding a …
We investigate the heat capacity of liquids through a theoretical approach based on a quasiparticle description. By interpreting the microscopic dynamics of particles in liquids in terms of quasiparticles, we suggest a simplified understanding of the number of degrees of freedom in liquids. A equivalence between hydrodynamics and U(1) gauge theory, which is newly proposed in the present paper, develops the quasiparticle description to construct a new Lagrangian which correctly reproduces the number of modes at the melting points and at the critical points. The heat capacity evaluated from this…
The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions - a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane are studied.The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths which vary according to the solvent thickness. When the membrane fluid is dragged by the so…
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 …
We show that back-flow, the coupling between the order parameter and the velocity fields, has a significant effect on the motion of defects in nematic liquid crystals. In particular the defect speed can depend strongly on the topological strength in two dimensions and on the sense of rotation of the director about the core in three dimensions.
We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the probability density distribution of their positions, velocities, and orientations, while at a mesoscopic level we switch to a coarse-grained description introducing an appropriate set of hydrodynamic fields given by the lower-order moments of the distribution. In addition to the usual density and polarization fields, the Hydrodynamics developed in this paper…
We study autocorrelation functions of energy, heat and entropy densities obtained by molecular dynamics simulations of supercritical Ar and compare them with the predictions of the hydrodynamic theory. It is shown that the predicted by the hydrodynamic theory single-exponential shape of the entropy density autocorrelation functions is perfectly reproduced for small wave numbers by the molecular dynamics simulations and permits the calculation of the wavenumber-dependent specific heat at constant pressure. The estimated wavenumber-dependent specific heats at constant volume and pressure, $C_{v}…
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.
Numerous experimental and theoretical results in liquids and plasmas suggest the presence of a critical momentum at which the shear diffusion mode collides with a non-hydrodynamic relaxation mode, giving rise to propagating shear waves. This phenomenon, labelled as "k-gap", could explain the surprising identification of a low-frequency elastic behaviour in confined liquids. More recently, a formal study of the perturbative hydrodynamic expansion showed that critical points in complex space, such as the aforementioned k-gap, determine the radius of convergence of linear hydrodynamics, its regim…
Spontaneously flowing liquids have been successfully engineered from a variety of biological and synthetic self-propelled units. Together with their orientational order, wave propagation in such active fluids have remained a subject of intense theoretical studies. However, the experimental observation of this phenomenon has remained elusive. Here, we establish and exploit the propagation of sound waves in colloidal active materials with broken rotational symmetry. We demonstrate that two mixed modes coupling density and velocity fluctuations propagate along all directions in colloidal-roller f…
We demonstrate experimentally that the long-range hydrodynamic interactions in an incompressible quasi 2D isotropic fluid result in an anisotropic viscous drag acting on elongated particles. The anisotropy of the drag is increasing with increasing ratio of the particle length to the hydrodynamic scale given by the Saffman-Delbrück length. The micro-rheology data for translational and rotational drags collected over three orders of magnitude of the effective particle length demonstrate the validity of the current theoretical approaches to the hydrodynamics in restricted geometry. The results al…
We study the mobility of extended objects (rods) on a spherical liquid-liquid interface to show how this quantity is modified in a striking manner by both the curvature and the topology of the interface. We present theoretical calculations and experimental measurements of the interfacial fluid velocity field around a moving rod bound to the crowded interface of a water-in-oil droplet. By using different droplet sizes, membrane viscosities, and rod lengths, we show that the viscosity mismatch between the interior and exterior fluids leads to a suppression of the fluid flow on small droplets tha…
We consider the derivation and numerical solution of the flow of passive and active polar liquid crystals, whose molecular orientation is subjected to a tangential anchoring on an evolving curved surface. The underlying passive model is a simplified surface Ericksen-Leslie model, which is derived as a thin-film limit of the corresponding three-dimensional equations with appropriate boundary conditions. A finite element discretization is considered and the effect of hydrodynamics on the interplay of topology, geometric properties and defect dynamics is studied for this model on various stationa…
This article gives an overview of recent theoretical and experimental findings concerning the hydrodynamic interaction between liquid-embedded particles in various confined geometries. A simple unifying description emerges, which accounts for the various findings based on the effect of confinement on conserved fields of the embedding liquid. It shows, in particular, that the hydrodynamic interaction under confinement remains long-ranged, decaying algebraically with inter-particle distance, except for the case of confinement in a rigid linear channel.
Friction in liquids arises from conservative forces between molecules and atoms. Although the hydrodynamics at the nanoscale is subject of intense research and despite the enormous interest in the non-Markovian dynamics of single molecules and solutes, the onset of friction from the atomistic scale so far could not be demonstrated. Here, we fill this gap based on frequency-resolved friction data from high-precision simulations of three prototypical liquids, including water. Combining with rigorous theoretical arguments, we show that friction in liquids emerges abruptly at a characteristic freq…
Theoretical description of liquids has been primarily based on the hydrodynamic approach and its generalization to the solid-like regime. We show that the same liquid properties can be derived starting from solid-like equations and generalizing them to account for the hydrodynamic flow. Both approaches predict propagating shear waves with the notable gap in $k$-space. This gives an important symmetry of liquids regarding their description. We subsequently construct a two-field Lagrangian of liquid dynamics where the dissipative hydrodynamic and solid-like terms are treated on equal footing. Th…
In viscous particulate liquids, such as suspensions and polymer solutions, the large-distance steady-state flow due to a local disturbance is commonly described in terms of hydrodynamic screening -- beyond a correlation length $ξ$ the response drops from that of the pure solvent, characterized by its viscosity $η_0$, to that of the macroscopic liquid with viscosity $η$. For cases where $η>>η_0$ we show, based on general conservation arguments, that this screening picture, while being asymptotically correct, should be refined in an essential way. The crossover between the microscopic and macros…
We investigate a possibility to regularize the hydrodynamic contact line singularity in the configuration of partial wetting (liquid wedge on a solid substrate) via evaporation-condensation, when an inert gas is present in the atmosphere above the liquid. The no-slip condition is imposed at the solid-liquid interface and the system is assumed to be isothermal. The mass exchange dynamics is controlled by vapor diffusion in the inert gas and interfacial kinetic resistance. The coupling between the liquid meniscus curvature and mass exchange is provided by the Kelvin effect. The atmosphere is sat…
In this paper we consider the effect of surface heterogeneity on the slippage of fluid, using two complementary approaches. First, MD simulations of a corrugated hydrophobic surface have been performed. A dewetting transition, leading to a super-hydrophobic state, is observed for pressure below a ``capillary'' pressure. Conversely a very large slippage of the fluid on this composite interface is found in this superhydrophobic state. Second, we propose a macroscopic estimate of the effective slip length on the basis of continuum hydrodynamics, in order to rationalize the previous MD results. Th…
Hydrodynamic liquid crystal models for lipid bilayers
Institut für Wissenschaftliches Rechnen, Technische Universität Dresden（德累斯顿工业大学科学计算研究所）；Center for Systems Biology Dresden (CSBD)（德累斯顿系统生物学中心）；Cluster of Excellence Physics of Life (PoL), Technische Universität Dresden（德累斯顿大学生命物理卓越集群）
Patterned irradiation of cuprate superconductors with columnar defects allows a new generation of experiments which can probe the properties of vortex liquids by confining them to controlled geometries. Here we show that an analysis of such experiments that combines an inhomogeneous Bose glass scaling theory with the hydrodynamic description of viscous flow of vortex liquids can be used to infer the critical behavior near the Bose glass transition. The shear viscosity is predicted to diverge as $|T-T_{BG}|^{-z}$ at the Bose glass transition, with $z\simeq 6$ the dynamical critical exponent.
We present an isothermal fluctuating nonlinear hydrodynamic theory of crystallization in molecular liquids. A dynamic coarse-graining technique is used to derive the velocity field, a phenomenology, which allows a direct coupling between the free energy functional of the classical Density Functional Theory and the Navier-Stokes equation. Contrary to the Ginzburg-Landau type amplitude theories, the dynamic response to elastic deformations is described by parameter-free kinetic equations. Employing our approach to the free energy functional of the Phase-Field Crystal model, we recover the classi…
We use linear stability analysis to show that an isotropic phase of elongated particles with dipolar flow fields can develop nematic order as a result of their activity. We argue that ordering is favoured if the particles are flow-aligning and is strongest if the wavevector of the order perturbation is neither parallel nor perpendicular to the nematic director. Numerical solutions of the hydrodynamic equations of motion of an active nematic confirm the results. The instability is contrasted to the well-known hydrodynamic instability of an ordered active nematic.
Generalized hydrodynamic theory, which does not rest on the requirement of a local equilibrium, is derived in the long-wave limit of a kinetic equation. The theory bridges the whole frequency range between the quasistatic (Navier-Stokes) hydrodynamics and the high frequency (Vlasov) collisionless limit. In addition to pressure and velocity the theory includes new macroscopic tensor variables. In a linear approximation these variables describe an effective shear stress of a liquid and the generalized hydrodynamics recovers the Maxwellian theory of highly viscous fluids - the media behaving as s…
We extend a lattice Boltzmann algorithm of liquid crystal hydrodynamics to include an applied electric field. The approach solves the equations of motion written in terms of a tensor order parameter. Back-flow effects and the hydrodynamics of topological defects are included. We investigate some of the dynamics relevant to liquid crystal devices; in particular defect-mediated motion of domain walls relevant to the nucleation of states useful in pi-cells. An anisotropy in the domain wall velocity is seen because defects of different topology couple differently to the flow field.
