Response of chemically active dimer motor in phase-separating binary fluid mixture: Motility regulation and self-aggregation.

The design of synthetic chemically powered nanomotors often considers the fuel and product to be miscible. The propulsion properties of such motors can be altered if the binary fluid consisting of fuel and product is phase separating. The dynamical properties of a dimer motor in a phase-separating binary mixture are discussed.

Shear flow as a tool to distinguish microscopic activities of molecular machines in a chromatin loop.

Several types of molecular machines move along biopolymers like chromatin. However, the details about the microscopic activity of these machines and how to distinguish their modes of action are not well understood. We propose that the activity of such machines can be classified by studying looped chromatin under shear flow.

Structure and dynamics of chemically active ring polymers: swelling to collapse.

The ring structures are common in many synthetic or natural systems and experience both local and long-range forces by chemical sensing. This work is an effort to investigate the structural and dynamical properties of a chemically active ring in an explicit solvent bath utilizing hybrid molecular dynamics (MD) and multiparticle collision dynamics (MPCD) simulation techniques. We show that by tuning the chemical properties of the ring, it can be converted from a chemo-attractant to a chemo-repellent, thereby changing the steady state to be either collapsed or swelled as compared to its passive limit.

Particle-based mesoscopic model for phase separation in a binary fluid mixture.

A mesoscopic simulation model to study the phase separation in a binary fluid mixture in three dimensions (3D) is presented here by augmenting the existing particle-based multiparticle collision dynamics (MPCD) algorithm. The approach describes the nonideal equation of the fluid state by incorporating the excluded-volume interaction between the two components within the framework of stochastic collision, which depends on the local fluid composition and velocity. Calculating the nonideal contribution to the pressure both from simulation and analytics shows the model to be thermodynamically consistent.

Active particles in explicit solvent: Dynamics of clustering for alignment interaction.

We study the dynamics of clustering in systems containing active particles that are immersed in an explicit solvent. For this, we have adopted a hybrid simulation method, consisting of molecular dynamics and multiparticle collision dynamics. In our model, the overlap-avoiding passive interaction of an active particle with another active particle or a solvent particle has been taken care of via variants of the Lennard-Jones potential.

Enhanced self-propulsion of a sphere-dimer in viscoelastic fluid.

Micro-swimmers often have to encounter a medium that exhibits non-Newtonian behaviour. To understand the effect of complex environments on the propulsion dynamics of swimmers, here we have investigated a self-propelled sphere-dimer in a viscoelastic medium, using a coarse-grained hybrid mesoscopic simulation technique. We have shown that a viscoelastic fluid can result in the enhancement of swimming speed, as compared to the speed in a Newtonian fluid with the same viscosity.

Chemical micromotors self-assemble and self-propel by spontaneous symmetry breaking.

Self-propelling chemical motors have thus far required the fabrication of Janus particles with an asymmetric catalyst distribution. Here, we demonstrate that simple, isotropic colloids can spontaneously assemble to yield dimer motors that self-propel. In a mixture of isotropic titanium dioxide colloids with photo-chemical catalytic activity and passive silica colloids, light illumination causes diffusiophoretic attractions between the active and passive particles and leads to the formation of dimers.

Diffusiophoretically induced interactions between chemically active and inert particles.

In the presence of a chemically active particle, a nearby chemically inert particle can respond to a concentration gradient and move by diffusiophoresis. The nature of the motion is studied for two cases: first, a fixed reactive sphere and a moving inert sphere, and second, freely moving reactive and inert spheres. The continuum reaction-diffusion and Stokes equations are solved analytically for these systems and microscopic simulations of the dynamics are carried out.

Spontaneous beating and synchronization of extensile active filament.

We simulate a semi-flexible active filament that exhibits spontaneous oscillations on clamping and show self-propulsion when left free. The activity on the filament relies on the nano-dimers distributed at regular intervals along the chain. With an emphasis on the spontaneous beating of a clamped filament, we demonstrate that the two competing forces necessary for oscillation are the elastic forces due to polymer rigidity and the active forces due to chemical activity.

Coarse-grained simulations of an active filament propelled by a self-generated solute gradient.

A self-propelling semiflexible filament exhibits a variety of dynamical states depending on the flexibility and activity of the filament. Here we investigate the dynamics of such an active filament using a bead-spring model with the explicit hydrodynamic interactions. The activity in the filament is incorporated by inserting chemically active dimers at regular intervals along the chain.

Autonomous movement of a chemically powered vesicle.

We investigate the diffusio-phoretic motion of a deformable vesicle. A vesicle is built from the linked catalytic and noncatalytic vertices that consumes fuel in the environment and utilize the resulting self-generated concentration gradient to exhibit propulsive motion. Under nonequilibrium conditions it is found that the self-propulsion velocity of the vesicle depends on its shape, which in turn is controlled by the bending rigidity of the membrane and solvent density around it.

Ring closure dynamics for a chemically active polymer.

The principles that underlie the motion of colloidal particles in concentration gradients and the propulsion of chemically-powered synthetic nanomotors are used to design active polymer chains. The active chains contain catalytic and noncatalytic monomers, or beads, at the ends or elsewhere along the polymer chain. A chemical reaction at the catalytic bead produces a self-generated concentration gradient and the noncatalytic bead responds to this gradient by a diffusiophoretic mechanism that causes these two beads to move towards each other.

Collective dynamics of self-propelled sphere-dimer motors.

The collective dynamics of ensembles of chemically powered sphere dimer motors is investigated. Sphere dimers are self-propelled nanomotors built from linked catalytic and noncatalytic spheres. They consume fuel in the environment and utilize the resulting self-generated concentration gradients to produce directed motion along their internuclear axes.

Dynamical phase of driven colloidal systems with short-range attraction and long-range repulsion.

We study the nonequilibrium dynamics of colloidal system with short-range depletion attraction and screened electrostatic repulsion on a disordered substrate. We find a growth-melting process of the clusters as the temperature is increased. By strengthening the screened electrostatic repulsion, a depinning transition from moving cluster to plastic flow is observed, which is characterized by a peak in threshold depinning force.

Dynamics of self-propelled nanomotors in chemically active media.

Synthetic chemically powered nanomotors often rely on the environment for their fuel supply. The propulsion properties of such motors can be altered if the environment in which they move is chemically active. The dynamical properties of sphere dimer motors, composed of linked catalytic and noncatalytic monomers, are investigated in active media.

Self-propelled nanodimer bound state pairs.

A pair of chemically powered self-propelled nanodimers can exist in a variety of bound and unbound states after undergoing a collision. In addition to independently moving unbound dimers, bound Brownian dimer pairs, whose center-of-mass exhibits diffusive motion, self-propelled moving dimer pairs with directed motion, and bound rotating dimer pairs, were observed. The bound pairs arise from a solvent depletion interaction, which depends on the nonequilibrium concentration field in the vicinity of dimers.

Coarsening through directed droplet coalescence in fluid-fluid phase separation.

Phase-separation dynamics of an asymmetric mixture of an isotropic dopant in a nematogenic fluid is presented. We show that, on steady cooling, the nucleating nematic drops move down the dopant concentration gradient, with a velocity that is dependent on the cooling rate and concentration gradient. This propulsion of the drops leads to a mechanism of droplet coarsening, where radius of a drop scales with time as R(t) approximately t.

Self-propulsion of nematic drops: novel phase separation dynamics in impurity-doped nematogens.

We report a novel phase separation dynamics, mediated by self-propelled motion of the nucleated drops, in a mixture of a nematogen and an isotropic dopant. We show that surface flow, induced by the gradient in the concentration of the dopant expelled by the growing drops, provides the driving force for the propulsion of nematic droplets. While the liquid crystal-isotropic transition is used here to demonstrate the phenomenon, self-propulsion should be observable in many other systems in which the dynamics of a conserved order parameter is coupled to a nonconserved order parameter.