No Arabic abstract
We present a large-scale numerical study, supplemented by experimental observations, of a quasi-two-dimensional active system of polar rods and spherical beads confined between two horizontal plates and energised by vertical vibration. For low rod concentrations $Phi_r$ we observe a direct phase transition, as bead concentration $Phi_b$ is increased, from the isotropic phase to a homogeneous flock. For $Phi_r$ above a threshold value, an ordered band dense in both rods and beads occurs between the disordered phase and the homogeneous flock, in both experiments and simulations. Within the size ranges accessible we observe only a single band, whose width increases with $Phi_r$. Deep in the ordered state, we observe broken-symmetry sound modes and giant number fluctuations. The direction-dependent sound speeds and the scaling of fluctuations are consistent with the predictions of field theories of flocking, but sound damping rates show departures from such theories. At very high densities we see phase separation into rod-rich and bead-rich regions, both of which move coherently.
Gravity can affect colloidal suspensions since for micrometer-sized particles gravitational and thermal energies can be comparable over vertical length scales of a few millimeters. In mixtures, each species possesses a different buoyant mass, which can make experimental results counter-intuitive and difficult to interpret. Here, we revisit from a theoretical perspective iconic sedimentation-diffusion-equilibrium experiments on colloidal plate-rod mixtures by van der Kooij and Lekkerkerker. We reproduce their findings, including the observation of five different mesophases in a single cuvette. Using sedimentation path theory, we incorporate gravity into a microscopic theory for the bulk of a plate-rod mixture. We also show how to disentangle the effects of gravity from sedimentation experiments to obtain the bulk behavior and make predictions that can be experimentally tested. These include changes in the sequence by altering the sample height. We demonstrate that both buoyant mass ratio and sample height form control parameters to study bulk phase behavior.
The control of biofilm formation is a challenging goal that has not been reached yet in many aspects. One is the role of van der Waals forces and another the importance of mutual interactions between the adsorbing and the adsorbed biomolecules (critical crowding). Here, a combined exeperimental and theoretical approach is presented that fundamentally probes both aspects. On three model proteins, lysozyme, {alpha}-amylase and bovine serum albumin (BSA), the adsorption kinetics is studied. Composite substrates are used enabling a separation of the short- and the long-range forces. Though usually neglected, experimental evidence is given for the influence of van der Waals forces on the protein adsorption as revealed by in situ ellipsometry. The three proteins were chosen for their different conformational stability in order to investigate the influence of conformational changes on the adsorption kinetics. Monte Carlo simulations are used to develop a model for these experimental results by assuming an internal degree of freedom to represent conformational changes. The simulations also provide data on the distribution of adsorption sites. By in situ atomic force microscopy we can also test this distribution experimentally which opens the possibility to e.g. investigate the interactions between adsorbed proteins.
We study a binary mixture of polar chiral (counterclockwise or clockwise) active particles in a two-dimensional box with periodic boundary conditions. Beside the excluded volume interactions between particles, particles are also subject to the polar velocity alignment. From the extensive Brownian dynamics simulations, it is found that the particle configuration (mixing or demixing) is determined by the competition between the chirality difference and the polar velocity alignment. When the chirality difference competes with the polar velocity alignment, the clockwise particles aggregate in one cluster and the counterclockwise particles aggregate in the other cluster, thus particles are demixed and can be separated. However, when the chirality difference or the polar velocity alignment is dominated, particles are mixed. Our findings could be used for the experimental pursuit of the separation of binary mixtures of chiral active particles.
Mesoscopic molecular dynamics simulations are used to determine the large scale structure of several binary polymer mixtures of various chemical architecture, concentration, and thermodynamic conditions. By implementing an analytical formalism, which is based on the solution to the Ornstein-Zernike equation, each polymer chain is mapped onto the level of a single soft colloid. From the appropriate closure relation, the effective, soft-core potential between coarse-grained units is obtained and used as input to our mesoscale simulations. The potential derived in this manner is analytical and explicitly parameter dependent, making it general and transferable to numerous systems of interest. From computer simulations performed under various thermodynamic conditions the structure of the polymer mixture, through pair correlation functions, is determined over the entire miscible region of the phase diagram. In the athermal regime mesoscale simulations exhibit quantitative agreement with united atom simulations. Furthermore, they also provide information at larger scales than can be attained by united atom simulations and in the thermal regime approaching the phase transition.
We investigate the phase behavior and kinetics of a monodisperse mixture of active (textit{i.e.}, self-propelled) and passive isometric Brownian particles through Brownian dynamics simulations and theory. As in a purely active system, motility of the active component triggers phase separation into a dense and a dilute phase; in the dense phase we further find active-passive segregation, with rafts of passive particles in a sea of active particles. We find that phase separation from an initially disordered mixture can occur with as little as 15 percent of the particles being active. Finally, we show that a system prepared in a suitable fully segregated initial state reproducibly self-assembles an active corona which triggers crystallization of the passive core by initiating a compression wave. Our findings are relevant to the experimental pursuit of directed self-assembly using active particles.