Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [regarding the calculation of the scaling exponent (α) of the MSD (Δx(2)(t) ∝ t(α)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.

We report numerical results which show the achievement of net transport of self-propelled particles (SPP) in the presence of a two-dimensional regular array of convex, either symmetric or asymmetric, rigid obstacles. The repulsive inter-particle (soft disks) and particle-obstacle interactions present no alignment rule. We find that SPP present a vortex-type motion around convex symmetric obstacles even in the absence of hydrodynamic effects. Such a motion is not observed for a single SPP, but is a consequence of the collective motion of SPP around the obstacles. An steady particle current is spontaneously established in an array of non-symmetric convex obstacle (which presents no cavity in which particles may be trapped in), and in the absence of an external field. Our results are mainly a consequence of the tendency of the self-propelled particles to attach to solid surfaces.

We study the mixing of two different kinds of particles, having different charge and/or mass, interacting through a pure Coulomb potential, and confined in a parabolic trap. The structure of the cluster and its normal mode spectrum are analyzed as a function of the ratio of the charges (mass ratio) of the two types of particles. We show that particles are not always arranged in a shell structure. Mixing of the particles goes hand in hand with a large number of metastable states. The normal modes of the system are obtained, and we find that some of the special modes can be tuned by varying the ratio between the charges (masses) of the two species. The degree of mixing of the two type of particles is summarized in a phase diagram, and an order parameter that describes quantitatively the mixing between particles is defined.

Depletion forces exerted by self-propelled particles on circular and elliptical passive objects are studied using numerical simulations. We show that a bath of active particles can induce repulsive and attractive forces which are sensitive to the shape and orientation of the passive objects (either horizontal or vertical ellipses). The resultant force on the passive objects due to the active particles is studied as a function of the shape and orientation of the passive objects, magnitude of the angular noise, distance between the passive objects. By increasing the distance between obstacles the magnitude of the repulsive depletion force increases, as long as such a distance is less than one active particle diameter. For longer distances, the magnitude of the force always decrease with increasing distance. We also found that attractive forces may arise for vertical ellipses at high enough area fraction.

The ground state configurations and the ''normal'' mode spectra of a quasi-one-dimensional (Q1D) binary system of charged particles interacting through a screened Coulomb potential are presented. The minimum energy configurations were obtained analytically and independently through molecular dynamic simulations. A rich variety of ordered structures were found as a function of the screening parameter, the particle density, and the ratio between the charges of the distinct types of particles. Continuous and discontinuous structural transitions, as well as an unexpected symmetry breaking in the charge distribution are observed when the density of the system is changed. For near equal charges we found a disordered phase where a mixing of the two types of particles occurs. The phonon dispersion curves were calculated within the harmonic approximation for the one-and two-chain structures.

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Melting of a finite size binary system consisting of two types of particles having different charges and/or masses, confined in a two-dimensional (2D) parabolic trap, is studied. The melting temperature is obtained for different values of the ratio between the charges and/or masses of the two types of particles. The two types of particles melt at different temperatures; e.g., particles with smaller charge melt first. The importance of the commensurate/incommensurate configurations and the different normal modes to the melting phenomenon is studied. When the ground state consists of a nonsymmetric arrangement of particles new thermally induced structural phase transitions are found. In addition, a remarkable temperature induced spatial separation of the two types of particles is found.

We consider a classical system of two-dimensional (2D) charged particles, interacting through a repulsive Yukawa potential exp(−r/λ)/r, and confined in a parabolic channel that limits the motion of the particles in the y direction. Along the x direction, the particles are subject to a periodic potential. The ground-state configurations and the normal-mode spectra of the system are obtained as a function of the periodicity and strength of the periodic potential (V 0 ) and density. An interesting set of tunable ground-state configurations are found, with firstor second-order structural transitions between them. A configuration with particles aligned, perpendicular to the x direction, in each minimum of the periodic potential is obtained for V 0 larger than some critical value that has a power-law dependence on the density. The phonon spectrum of different configurations was also calculated. A localization of the modes into a small frequency interval is observed for sufficiently large strength of the periodic potential, and a tunable gap in the phonon spectrum is found as a function of V 0 .