Dynamics of Nanomotors Propelled by Enzyme Cascade Reactions.

Enzyme-powered nanomotors have attracted significant attention in materials science and biomedicine for their biocompatibility, versatility, and the use of biofuels in biological environments. Here, we employ a hybrid mesoscale method combining molecular dynamics and multi-particle collision dynamics (MD-MPC) to study the dynamics of nanomotors powered by enzyme reactions. Two cascade enzymes are constructed to be layered on the same surface of a Janus colloid, providing a confined space that greatly enhances reaction efficiency.

Chemical Logic Gates on Active Colloids.

Recent studies have shown that active colloidal motors using enzymatic reactions for propulsion hold special promise for applications in fields ranging from biology to material science. It will be desirable to have active colloids with capability of computation so that they can act autonomously to sense their surroundings and alter their own dynamics. It is shown how small chemical networks that make use of enzymatic chemical reactions on the colloid surface can be used to construct motor-based chemical logic gates.

The dynamics of chemically propelled dimer motors on a pinning substrate.

The dynamics of self-propelled micro-motors, in a thin fluid film containing an attractive substrate, is investigated by means of a particle-based simulation. A chemically powered sphere dimer, consisting of a catalytic and a noncatalytic sphere, may be captured by a trap on the substrate and consequently rotates around the trap center. A pair of trapped dimers spontaneously forms various configurations, including anti-parallel aligned doublets and head-to-tail rotating doublets.

Effect of Shape on the Entering of Graphene Quantum Dots into a Membrane: A Molecular Dynamics Simulation.

Graphene quantum dots (GQDs), a new quasi-zero-dimensional nanomaterial, have the advantages of a smaller transverse size, better biocompatibility, and lower toxicity. They have potential applications in biosensors, drug delivery, and biological imaging. Therefore, it is particularly important to understand the transport mechanism of the GQDs on the cell membrane.

The dynamics and self-assembly of chemically self-propelled sphere dimers.

The dynamics of chemically powered sphere dimers at the micro- and nano-scales confined in a quasi-two-dimensional geometry are investigated. The dimer consists of a Janus particle and a non-catalytic sphere. A chemical reaction taking place on the catalytic surface of the Janus particle creates asymmetric concentration gradients that give rise to the self-propulsion of both rotation and translation of the dimer.

Separation of nanoparticles via surfing on chemical wavefronts.

The separation of micro and nanoscale colloids is a necessary step in most biological microassay techniques, and is a common practice in microchemical processing. Chemical waves are frequently encountered in biochemical systems driven far from equilibrium. Here, we put forward a strategy for separating small suspending colloids by means of their surfing on substrate chemical wavefronts.

Pair Interaction of Catalytical Sphere Dimers in Chemically Active Media.

We study the pair dynamics of two self-propelled sphere dimers in the chemically active medium in which a cubic autocatalytic chemical reaction takes place. Concentration gradient around the dimer, created by reactions occurring on the catalytic sphere surface and responsible for the self-propulsion, is greatly influenced by the chemical activities of the environment. Consequently, the pair dynamics of two dimers mediated by the concentration field are affected.

Chemically Propelled Motors Navigate Chemical Patterns.

Very small synthetic motors that use chemical reactions to drive their motion are being studied widely because of their potential applications, which often involve active transport and dynamics on nanoscales. Like biological molecular machines, they must be able to perform their tasks in complex, highly fluctuating environments that can form chemical patterns with diverse structures. Motors in such systems can actively assemble into dynamic clusters and other unique nonequilibrium states.

Synthetic Nanomotors: Working Together through Chemistry.

Active matter, some of whose constituent elements are active agents that can move autonomously, behaves very differently from matter without such agents. The active agents can self-assemble into structures with a variety of forms and dynamical properties. Swarming, where groups of living agents move cooperatively, is commonly observed in the biological realm, but it is also seen in the physical realm in systems containing small synthetic motors.

Phase-field-based lattice Boltzmann modeling of large-density-ratio two-phase flows.

In this paper, we present a simple and accurate lattice Boltzmann (LB) model for immiscible two-phase flows, which is able to deal with large density contrasts. This model utilizes two LB equations, one of which is used to solve the conservative Allen-Cahn equation, and the other is adopted to solve the incompressible Navier-Stokes equations. A forcing distribution function is elaborately designed in the LB equation for the Navier-Stokes equations, which make it much simpler than the existing LB models.

Dynamics of Scroll Wave in a Three-Dimensional System with Changing Gradient.

The dynamics of a scroll wave in an excitable medium with gradient excitability is studied in detail. Three parameter regimes can be distinguished by the degree of gradient. For a small gradient, the system reaches a simple rotating synchronization.

Chemotactic dynamics of catalytic dimer nanomotors.

Synthetic chemically powered nanomotors possessing the ability of chemotaxis are desirable for target cargo delivery and self-assembly. The chemotactic properties of a sphere dimer motor, composed of linked catalytic and inactive monomers, are studied in a gradient field of fuel. Particle-based simulation is carried out by means of hybrid molecular dynamics/multiparticle collision dynamics.

Influences of periodic mechanical deformation on pinned spiral waves.

In a generic model of excitable media, we study the behavior of spiral waves interacting with obstacles and their dynamics under the influences of simple periodic mechanical deformation (PMD). Depending on the characteristics of the obstacles, i.e.

Emitting waves from heterogeneity by a rotating electric field.

In a generic model of excitable media, we simulate wave emission from a heterogeneity (WEH) induced by an electric field. Based on the WEH effect, a rotating electric field is proposed to terminate existed spatiotemporal turbulence. Compared with the effects resulted by a periodic pulsed electric field, the rotating electric field displays several improvements, such as lower required intensity, emitting waves on smaller obstacles, and shorter suppression time.

Control of turbulence in heterogeneous excitable media.

Control of turbulence in two kinds of typical heterogeneous excitable media by applying a combined method is investigated. It is found that local-low-amplitude and high-frequency pacing (LHP) is effective to suppress turbulence if the deviation of the heterogeneity is minor. However, LHP is invalid when the deviation is large.

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.

Mesoscopic dynamics of diffusion-influenced enzyme kinetics.

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme.

Noise-induced anomalous diffusion over a periodically modulated saddle.

We study analytically and numerically the anomalous diffusion across periodically modulated parabolic potential within Langevin and Fokker-Planck descriptions. We find that the probability of particles passing over the saddle is affected strikingly by the periodical modulation with average zero bias. Particularly, the initial phase plays an important role in the modulation effect.

Suppression of spirals and turbulence in inhomogeneous excitable media.

Suppression of spiral and turbulence in inhomogeneous media due to local heterogeneity with higher excitability is investigated numerically. When the inhomogeneity is small, control tactics by boundary periodic forcing (BPF) is effective against the existing spiral and turbulence. When the inhomogeneity of excitability is large, a rotating electric field (REF) is utilized to "smooth" regional heterogeneity based on driven synchronization.

Synchronization of a spiral by a circularly polarized electric field in reaction-diffusion systems.

Synchronization of a spiral by a circularly polarized electric field (CPEF) in reaction-diffusion systems is investigated since they both possess rotation symmetry. It is found that spirals in different regimes (including rigidly rotating, meandering, and drifting spirals) can be forced to be rigidly rotating ones by CPEFs. Moreover, the rotational frequency of the entrained spiral is found to be synchronized with the frequency of the electric field in a ratio of 1:1.

Influences of periodic mechanical deformation on spiral breakup in excitable media.

Influences of periodic mechanical deformation (PMD) on spiral breakup that results from Doppler instability in excitable media are investigated. We present a new effect: a high degree of homogeneous PMD is favored to prevent the low-excitability-induced breakup of spiral waves. The frequency and amplitude of PMD are also significant for achieving this purpose.

Transition from Turing stripe patterns to hexagonal patterns induced by polarized electric fields.

The effect of a circularly polarized electric field on the Turing stripe patterns is studied. The numerical results show that stripe patterns may change to hexagonal wave patterns by choosing the intensity and the frequency of the circularly polarized electric field suitably. Our findings indicate that a pattern tends to organize itself to the pattern with the same symmetry of the applied field with the fact that compared to the stripe patterns, hexagonal wave patterns possess hexagonal symmetry which is closer to the rotation symmetry of the circularly polarized electric field.

Control of spiral breakup by an alternating advective field.

The control of spiral breakup due to Doppler instability is investigated. It is found that applying an alternating advective field with suitable amplitude and period can prevent the breakup of spiral waves. Further numerical simulations show that the growing meandering behavior of a spiral tip caused by decreasing the excitability of the medium can be efficiently suppressed by the alternating advective field, which inhibits the breakup of spiral waves eventually.

Drift of spiral waves controlled by a polarized electric field.

The drift behavior of spiral waves under the influence of a polarized electric field is investigated in the light that both the polarized electric field and the spiral waves possess rotation symmetry. Numerical simulations of a reaction-diffusion model show that the drift velocity of the spiral tip can be controlled by changing the polarization mode of the polarized electric field and some interesting drift phenomena are observed. When the electric field is circularly polarized and its rotation follows that of the spiral, the drift speed of the spiral tip reaches its maximal value.