Excluded volume effects on tangentially driven active ring polymers.

The conformational and dynamical properties of active ring polymers are studied by numerical simulations. The two-dimensionally confined polymer is modeled as a closed bead-spring chain, driven by tangential forces, put in contact with a heat bath described by the Brownian multiparticle collision dynamics. Both phantom polymers and chains comprising excluded volume interactions are considered for different bending rigidities.

Growth regimes in three-dimensional phase separation of liquid-vapor systems.

The liquid-vapor phase separation is investigated via lattice Boltzmann simulations in three dimensions. After expressing length and time scales in reduced physical units, we combined data from several large simulations (on 512^{3} nodes) with different values of viscosity, surface tension, and temperature, to obtain a single curve of rescaled length l[over ̂] as a function of rescaled time t[over ̂]. We find evidence of the existence of kinetic and inertial regimes with growth exponents α_{d}=1/2 and α_{i}=2/3 over several time decades, with a crossover from α_{d} to α_{i} at t[over ̂]≃1.

Self-Attractive Semiflexible Polymers under an External Force Field.

The dynamical response of a tethered semiflexible polymer with self-attractive interactions and subjected to an external force field is numerically investigated by varying stiffness and self-interaction strength. The chain is confined in two spatial dimensions and placed in contact with a heat bath described by the Brownian multi-particle collision method. For strong self-attraction the equilibrium conformations range from compact structures to double-stranded chains, and to rods when increasing the stiffness.

Hydrodynamic effects on the liquid-hexatic transition of active colloids.

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 [Formula: see text] than the corresponding ABP, suggesting that hydrodynamics have the net effect of disordering the system.

Wall-anchored semiflexible polymer under large amplitude oscillatory shear flow.

The properties of semiflexible polymers tethered by one end to an impenetrable wall and exposed to oscillatory shear flow are investigated by mesoscale simulations. A polymer, confined in two dimensions, is described by a linear bead-spring chain, and fluid interactions are incorporated by the Brownian multiparticle collision dynamics approach. At small strain, the polymers follow the applied flow field.

Soft channel formation and symmetry breaking in exotic active emulsions.

We use computer simulations to study the morphology and rheological properties of a bidimensional emulsion resulting from a mixture of a passive isotropic fluid and an active contractile polar gel, in the presence of a surfactant that favours the emulsification of the two phases. By varying the intensity of the contractile activity and of an externally imposed shear flow, we find three possible morphologies. For low shear rates, a simple lamellar state is obtained.

Diffusion-Driven X-Ray Two-Dimensional Patterns Denoising.

The use of a mathematical model is proposed in order to denoise X-ray two-dimensional patterns. The method relies on a generalized diffusion equation whose diffusion constant depends on the image gradients. The numerical solution of the diffusion equation provides an efficient reduction of pattern noise as witnessed by the computed peak of signal-to-noise ratio.

Rheology of active polar emulsions: from linear to unidirectional and inviscid flow, and intermittent viscosity.

The rheological behaviour of an emulsion made of an active polar component and an isotropic passive fluid is studied by lattice Boltzmann methods. Different flow regimes are found by varying the values of the shear rate and extensile activity (occurring, e.g.

Lattice Boltzmann methods and active fluids.

We review the state of the art of active fluids with particular attention to hydrodynamic continuous models and to the use of Lattice Boltzmann Methods (LBM) in this field. We present the thermodynamics of active fluids, in terms of liquid crystals modelling adapted to describe large-scale organization of active systems, as well as other effective phenomenological models. We discuss how LBM can be implemented to solve the hydrodynamics of active matter, starting from the case of a simple fluid, for which we explicitly recover the continuous equations by means of Chapman-Enskog expansion.

Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear.

The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid is described by the Brownian multiparticle collision dynamics approach. For small shear rates, the tethering of the ends leads to a more-or-less linear oscillatory response.

Corner-transport-upwind lattice Boltzmann model for bubble cavitation.

Aiming to study the bubble cavitation problem in quiescent and sheared liquids, a third-order isothermal lattice Boltzmann model that describes a two-dimensional (2D) fluid obeying the van der Waals equation of state, is introduced. The evolution equations for the distribution functions in this off-lattice model with 16 velocities are solved using the corner-transport-upwind (CTU) numerical scheme on large square lattices (up to 6144×6144 nodes). The numerical viscosity and the regularization of the model are discussed for first- and second-order CTU schemes finding that the latter choice allows to obtain a very accurate phase diagram of a nonideal fluid.

Lattice Boltzmann study of chemically-driven self-propelled droplets.

We numerically study the behavior of self-propelled liquid droplets whose motion is triggered by a Marangoni-like flow. This latter is generated by variations of surfactant concentration which affect the droplet surface tension promoting its motion. In the present paper a model for droplets with a third amphiphilic component is adopted.

Dynamics of a homogeneous active dumbbell system.

We analyze the dynamics of a two-dimensional system of interacting active dumbbells. We characterize the mean-square displacement, linear response function, and deviation from the equilibrium fluctuation-dissipation theorem as a function of activity strength, packing fraction, and temperature for parameters such that the system is in its homogeneous phase. While the diffusion constant in the last diffusive regime naturally increases with activity and decreases with packing fraction, we exhibit an intriguing nonmonotonic dependence on the activity of the ratio between the finite-density and the single-particle diffusion constants.

Pattern formation in liquid-vapor systems under periodic potential and shear.

In this paper the phase behavior and pattern formation in a sheared nonideal fluid under a periodic potential is studied. An isothermal two-dimensional formulation of a lattice Boltzmann scheme for a liquid-vapor system with the van der Waals equation of state is presented and validated. Shear is applied by moving walls and the periodic potential varies along the flow direction.

Semiflexible polymers under external fields confined to two dimensions.

The non-equilibrium structural and dynamical properties of semiflexible polymers confined to two dimensions are investigated by molecular dynamics simulations. Three different scenarios are considered: the force-extension relation of tethered polymers, the relaxation of an initially stretched semiflexible polymer, and semiflexible polymers under shear flow. We find quantitative agreement with theoretical predictions for the force-extension relation and the time dependence of the entropically contracting polymer.

Thermal and hydrodynamic effects in the ordering of lamellar fluids.

Phase separation in a complex fluid with lamellar order has been studied in the case of cold thermal fronts propagating diffusively from external walls. The velocity hydrodynamic modes are taken into account by coupling the convection-diffusion equation for the order parameter to a generalized Navier-Stokes equation. The dynamical equations are simulated by implementing a hybrid method based on a lattice Boltzmann algorithm coupled to finite difference schemes.

Phase separation of binary fluids with dynamic temperature.

Phase separation of binary fluids quenched by contact with cold external walls is considered. Navier-Stokes, convection-diffusion, and energy equations are solved by lattice Boltzmann method coupled with finite-difference schemes. At high viscosity, different morphologies are observed by varying the thermal diffusivity.

Hybrid lattice Boltzmann model for binary fluid mixtures.

A hybrid lattice Boltzmann method (LBM) for binary mixtures based on the free-energy approach is proposed. Nonideal terms of the pressure tensor are included as a body force in the LBM kinetic equations, used to simulate the continuity and Navier-Stokes equations. The convection-diffusion equation is studied by finite-difference methods.

Two-dimensional fluctuating vesicles in linear shear flow.

The stochastic motion of a two-dimensional vesicle in linear shear flow is studied at finite temperature. In the limit of small deformations from a circle, Langevin-type equations of motion are derived, which are highly nonlinear due to the constraint of constant perimeter length. These equations are solved in the low-temperature limit and using a mean-field approach, in which the length constraint is satisfied only on average.

Lattice Boltzmann simulation of thermal nonideal fluids.

A thermal lattice Boltzmann model for a van der Waals fluid is proposed. In the continuum, the model reproduces at second order of a Chapman-Enskog expansion, the theory recently introduced by A. Onuki [Phys.

Long-time behavior and different shear regimes in quenched binary mixtures.

The dependence on applied shear of the morphological and rheological properties of diffusive binary systems after a quench from the disordered state into the coexistence region is investigated. In particular the behavior of the late-time transversal size of domains L_{y} and of the maximum of excess viscosity (Deltaeta)_{M} is considered. Numerical results show the existence of two regimes corresponding to weak and strong shear separated by a shear rate of the order of gamma_{c} approximately 1t_{D} where t_{D} is the diffusive time.

Morphologies and flow patterns in quenching of lamellar systems with shear.

We study the behavior of a fluid quenched from the disordered into the lamellar phase under the action of a shear flow. The dynamics of the system is described by Navier-Stokes and convection-diffusion equations with the pressure tensor and the chemical potential derived by the Brazovskii free energy. Our simulations are based on a mixed numerical method with the lattice Boltzmann equation and a finite difference scheme for Navier-Stokes and order parameter equations, respectively.

Lattice Boltzmann scheme for fluids with dynamic heterogeneities.

We introduce and discuss a three-dimensional mesoscopic lattice Boltzmann model for the numerical simulation of strongly-interacting fluids with dynamic inhomogeneities. The model is based on an extension of the standard lattice Boltzmann dynamics in which streaming between neighboring lattice sites is constrained by the value of the nonlocal density of the surrounding fluid. The resulting dynamics exhibits typical features of dynamically heterogeneous fluids, such as long-time relaxation, non-Gaussian density distributions and dynamic heterogeneities.

Lattice mesoscopic model of dynamically heterogeneous fluids.

We introduce a mesoscopic three-dimensional lattice Boltzmann model which attempts to mimic the physical features associated with cage effects in dynamically heterogeneous fluids. To this purpose, we extend the standard lattice Boltzmann dynamics with self-consistent constraints based on the nonlocal density of the surrounding fluid. The resulting dynamics exhibits typical features of dynamic heterogeneous fluids, such as non-Gaussian density distributions and long-time relaxation.

Helical polymer in cylindrical confining geometries.

Using an algorithm for simulating equilibrium configurations, we study a fluctuating helical polymer either (i) contained in a cylindrical pore or (ii) wound around a cylindrical rod. We work in the regime where both the contour length and the persistence length of the helical polymer are much larger than the diameter of the cylinder. In case (i) we calculate the free energy of confinement and interpret it in terms of a wormlike chain in a pore with an effective diameter that depends on the parameters of the helix.