No Arabic abstract
We study numerically the critical behavior of a modified, active Asakura-Oosawa model for colloid-polymer mixtures. The colloids are modeled as self-propelled particles with Vicsek-like interactions. This system undergoes phase separation between a colloid-rich and a polymer-rich phase, whereby the phase diagram depends on the strength of the Vicsek-like interactions. Employing a subsystem-block-density distribution analysis, we determine the critical point and make an attempt to estimate the critical exponents. In contrast to the passive model, we find that the critical point is not located on the rectilinear diameter. A first estimate of the critical exponents $beta$ and $ u$ is consistent with the underlying 3d-Ising universality class observed for the passive model.
Via molecular dynamics simulation with Langevin thermostat we study the structure and dynamics of a flexible bead-spring active polymer model after a quench from good to poor solvent conditions. The self propulsion is introduced via a Vicsek-like alignment activity rule which works on each individual monomer in addition to the standard attractive and repulsive interactions among the monomeric beads. We observe that the final conformations are in the globular phase for the passive as well as for all the active cases. By calculating the bond length distribution, radial distribution function, etc., we show that the kinetics and also the microscopic details of these textit{pseudo equilibrium} globular conformations are not the same in all the cases. Moreover, the center-of-mass of the polymer shows a more directed trajectory during its motion and the behavior of the mean-squared-displacement gradually changes from a super-diffusive to ballistic under the influence of the active force in contrast to the diffusive behavior in the passive case.
We study the fluctuation-induced Casimir interactions in colloidal suspensions, especially between colloids immersed in a binary liquid close to its critical demixing point. To simulate these systems, we present a highly efficient cluster Monte Carlo algorithm based on geometric symmetries of the Hamiltonian. Utilizing the principle of universality, the medium is represented by an Ising system while the colloids are areas of spins with fixed orientation. Our results for the Casimir interaction potential between two particles at the critical point in two dimensions perfectly agree with the exact predictions. However, we find that in finite systems the behavior strongly depends on whether the $Z_{2}$ symmetry of the system is broken by the particles. Eventually we present Monte Carlo results for the three-body Casimir interaction potential and take a close look onto the case of one particle in the vicinity of two adjacent particles, which can be calculated from the two-particle interaction by a conformal mapping. These results emphasize the failure of the common decomposition approach for many-particle critical Casimir interactions.
We investigate thermodynamic and structural properties of colloidal dumbbells in the framework provided by the Reference Interaction Site Model (RISM) theory of molecular fluids and Monte Carlo simulations. We consider two different models: in the first one we set identical square-well attractions on the two tangent spheres composing the molecule (SW-SW model); in the second scheme, one of square-well interactions is switched off (HS-SW model). Appreciable differences emerge between the physical properties of the two models. Specifically, the $k to 0$ behavior of SW-SW structure factors $S(k)$ points to the presence of a gas-liquid coexistence, as confirmed by subsequent fluid phase equilibria calculations. Conversely, the HS-SW $S(k)$ develops a low-$k$ peak, signaling the presence of aggregates; such a process destabilizes the gas-liquid phase separation, promoting at low temperatures the formation of a cluster phase, whose structure depends on the system density. We further investigate such differences by studying the phase behavior of a series of intermediate models, obtained from the original SW-SW by progressively reducing the depth of one square-well interaction. RISM structural predictions positively reproduce the simulation data, including the rise of $S(k to 0$) in the SW-SW model and the low-$k$ peak in the HS-SW structure factor. As for the phase behavior, RISM agrees with Monte Carlo simulations in predicting a gas-liquid coexistence for the SW-SW model (though the critical parameters appears overestimated by the theory) and its progressive disappearance moving toward the HS-SW model.
In this review we discuss recent advances in the self-assembly of self-propelled colloidal particles and highlight some of the most exciting results in this field with a specific focus on dry active matter. We explore this phenomenology through the lens of the complexity of the colloidal building blocks. We begin by considering the behavior of isotropic spherical particles. We then discuss the case of amphiphilic and dipolar Janus particles. Finally, we show how the geometry of the colloids and/or the directionality of their interactions can be used to control the physical properties of the assembled active aggregates, and suggest possible strategies on how to exploit activity as a tunable driving force for self-assembly. The unique properties of active colloids lend promise for the design of the next generation of functional, environment-sensing microstructures able to perform specific tasks in an autonomous and targeted manner.
Minimal models of active Brownian colloids consisting of self-propelled spherical particles with purely repulsive interactions have recently been identified as excellent quantitative testing grounds for theories of active matter and have been the subject of extensive numerical and analytical investigation. These systems do not exhibit aligned or flocking states, but do have a rich phase diagram, forming active gases, liquids and solids with novel mechanical properties. This article reviews recent advances in the understanding of such models, including the description of the active gas and its swim pressure, the motility-induced phase separation and the high-density crystalline and glassy behavior.