We show how the colloidal-probe technique, which is based on force measurements made with the atomic force microscope, can be used to accurately determine the charging parameters of water-solid interfaces. Besides yielding accurate values of the double-layer or diffuse-layer potential, the method also allows reliable determination of the charge regulation properties of the surfaces. The latter can be quantified with a regulation parameter, which is essential to properly describe forces between interfaces, especially in asymmetric situations when one of the interfaces is charged and the other one is close to neutral. The technique relies on a highly charged probe particle, for which the charging properties are accurately determined by interpreting the double-layer contribution of the measured force profiles in the symmetric sphere-sphere geometry with Poisson-Boltzmann (PB) theory. Once the probe particle is calibrated, this particle is used to measure the force profile between an unknown substrate in the asymmetric sphere-sphere or sphere-plane geometry. From this profile, the diffuse-layer potential and regulation parameter of the substrate can be again determined with PB theory. The technique is highly versatile, as it can be used for a wide variety of substrates, including colloidal particles and planar substrates. The technique is also applicable in salt solutions containing multivalent ions. The current drawbacks of the technique are that it can only be applied up to moderately high salt levels, typically to 10 mM, and only for relatively large particles, typically down to about 1 μm in diameter. How the technique could be extended to higher salt levels and smaller particle size is also briefly discussed.

We have studied the dynamics of micrometer-sized colloidal particles in electrohydrodynamic convection of nematic liquid crystal. Above the onset voltage of electroconvection, the parallel array of convection rolls appears to be perpendicular to the nematic field at first. The particles are forced to rotate by convection flow and are trapped within a single roll in this voltage regime. A slow glide motion along the roll axis is also observed. The frequency of rotational motion and the glide velocity increase with the applied voltage. Under a much larger voltage where the roll axis temporally fluctuates, the particles occasionally hop to the neighbor rolls. In this voltage regime, the motion of the particles becomes two-dimensional. The motion perpendicular to the roll axis exhibits diffusion behavior at a long time period. The effective diffusion constant is ${10}^3–{10}^4$ times larger than the molecular one. The observed behavior is compared with the result obtained by a simple stochastic model for the transport of the particles in convection. The enhancement of diffusion can be quantitatively described well by the rotation frequency in a roll, the width of the roll, and the hopping probability to the neighbor rolls.

I examine the mean consensus time (i.e., exit time) of the voter model in the so-called two-clique graph. The two-clique graph is composed of two cliques interconnected by some links and considered as a toy model of networks with community structure or multilayer networks. I analytically show that, as the number of interclique links per node is varied, the mean consensus time experiences a crossover between a fast consensus regime [i.e., $O\left(N\right)$] and a slow consensus regime [i.e., $O\left(N^2\right)$], where $N$ is the number of nodes. The fast regime is consistent with the result for homogeneous well-mixed graphs such as the complete graph. The slow regime appears only when the entire network has $O\left(1\right)$ interclique links. The present results suggest that the effect of community structure on the consensus time of the voter model is fairly limited.

When a piston drives a shock in a multicomponent plasma, residual separation of the ion species persists close to the piston-plasma boundary, long after the shock has propagated away from the boundary and has reached a (nearly) steady-state solution. This effect is observed in hybrid particle-in-cell simulations with two kinetic ion species and fluid electrons. It is a consequence of the different dynamics experienced by ions of different mass and charge-to-mass ratio and must be taken into account to properly model the physics of species separation in collisional plasma shocks.

Bioelectrochemical systems recover valuable components and energy in the form of hydrogen or electricity from aqueous organic streams. We derive a one-dimensional steady-state model for ion transport in a bioelectrochemical system, with the ions subject to diffusional and electrical forces. Since most of the ionic species can undergo acid-base reactions, ion transport is combined in our model with infinitely fast ion acid-base equilibrations. The model describes the current-induced ammonia evaporation and recovery at the cathode side of a bioelectrochemical system that runs on an organic stream containing ammonium ions. We identify that the rate of ammonia evaporation depends not only on the current but also on the flow rate of gas in the cathode chamber, the diffusion of ammonia from the cathode back into the anode chamber, through the ion exchange membrane placed in between, and the membrane charge density.

The topology and the geometry of a surface play a fundamental role in determining the equilibrium configurations of thin films of liquid crystals. We propose here a theoretical analysis of a recently introduced surface Frank energy, in the case of two-dimensional nematic liquid crystals coating a toroidal particle. Our aim is to show how a different modeling of the effect of extrinsic curvature acts as a selection principle among equilibria of the classical energy and how new configurations emerge. In particular, our analysis predicts the existence of stable equilibria with complex windings.

We study the problem of estimating the origin of an epidemic outbreak: given a contact network and a snapshot of epidemic spread at a certain time, determine the infection source. This problem is important in different contexts of computer or social networks. Assuming that the epidemic spread follows the usual susceptible-infected-recovered model, we introduce an inference algorithm based on dynamic message-passing equations and we show that it leads to significant improvement of performance compared to existing approaches. Importantly, this algorithm remains efficient in the case where the snapshot sees only a part of the network.

Methods for calculating the transmission coefficient are proposed, all of which arise from improved nonreflecting WKB boundary conditions at the edge of the computational domain in one-dimensional geometries. In the first, the Schrödinger equation is solved numerically, while the second is a transfer matrix (TM) algorithm where the potential is approximated by steps, but with the first and last matrix modified to reflect the new boundary condition. Both methods give excellent results with first-order WKB boundary conditions. The third uses the transfer matrix method with third-order WKB boundary conditions. For the parabolic potential, the average error for the modified third-order TM method reduces by factor of 4100 over the unmodified TM method.

Phase-field models are powerful tools to tackle free-boundary problems. For phase transformations involving diffusion, the evolution of the nonconserved phase field is coupled to the evolution of the conserved diffusion field. Introducing the kinetic cross coupling between these two fields [E. A. Brener and G. Boussinot, Phys. Rev. E 86, 060601(R) (2012)], we solve the long-standing problem of a realistic description of interface kinetics when a diffusional contrast between the phases is taken into account. Using the case of the solidification of a pure substance, we show how to eliminate the temperature jump at the interface and to recover full equilibrium boundary conditions. We confirm our results by numerical simulations.

We describe dipolar nematic colloids comprising mutually bound solid microspheres, three-dimensional skyrmions, and point defects in a molecular alignment field of chiral nematic liquid crystals. Nonlinear optical imaging and numerical modeling based on minimization of Landau–de Gennes free energy reveal that the particle-induced skyrmions resemble torons and hopfions, while matching surface boundary conditions at the interfaces of liquid crystal and colloidal spheres. Laser tweezers and videomicroscopy reveal that the skyrmion-colloidal hybrids exhibit purely repulsive elastic pair interactions in the case of parallel dipoles and an unexpected reversal of interaction forces from repulsive to attractive as the center-to-center distance decreases for antiparallel dipoles. The ensuing elastic self-assembly gives rise to colloidal chains of antiparallel dipoles with particles entangled by skyrmions.

The pair-approximation method is modified in order to describe systems with geometrical frustration. The Ising antiferromagnet on a triangular lattice with selective dilution (Kaya-Berker model) is considered and a self-consistent thermodynamic description of this model is obtained. For this purpose, the Gibbs free energy as a function of temperature, concentration of magnetic atoms on the selected sublattice, and external magnetic field is derived. In particular, the phase diagram is constructed and a comparison of different methods is presented. The thermodynamic quantities are discussed in the context of their physical validity, and the improvement in the description introduced by the modified method is emphasized.

We extend the water retention model [C. L. Knecht et al., Phys. Rev. Lett. 108, 045703 (2012)] to correlated random surfaces. We find that the retention capacity of discrete random landscapes is strongly affected by spatial correlations among the heights. This phenomenon is related to the emergence of power-law scaling in the lake volume distribution. We also solve the uncorrelated case exactly for a small lattice and present bounds on the retention of uncorrelated landscapes.

We numerically investigate the two-dimensional $q$-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect $q$-fold degenerate ground states for the $Z_q$ broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the $Z_q$ subgroup of the symmetry group of the Hamiltonian. We find that the $q$-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for $q=3$ and $q=4$ and a continuous phase transition for $q=2$ (the two-dimensional quantum transverse Ising model).

We study the effects of an interaction range on the gas-liquid phase diagram and the crossover behavior of a simple model of ionic fluids: an equimolar binary mixture of equisized hard spheres interacting through screened Coulomb potentials which are repulsive between particles of the same species and attractive between particles of different species. Using the collective variables theory, we find explicit expressions for the relevant coefficients of the effective ${\phi }^4$ Ginzburg-Landau Hamiltonian in a one-loop approximation. Within the framework of this approximation, we calculate the critical parameters and gas-liquid phase diagrams for varying inverse screening length $z$. Both the critical temperature scaled by the Yukawa potential contact value and the critical density rapidly decrease with an increase of the interaction range (a decrease of $z$) and then for $z<0.05$ they slowly approach the values found for a restricted primitive model (RPM). We find that gas-liquid coexistence region reduces with an increase of $z$ and completely vanishes at $z\simeq 2.78$. Our results clearly show that an increase in the interaction range leads to a decrease of the crossover temperature. For $z\simeq 0.01$, the crossover temperature is the same as for the RPM.

Identification of directional influences in multivariate systems is of prime importance in several applications of engineering and sciences such as plant topology reconstruction, fault detection and diagnosis, and neurosciences. A spectrum of related directionality measures, ranging from linear measures such as partial directed coherence (PDC) to nonlinear measures such as transfer entropy, have emerged over the past two decades. The PDC-based technique is simple and effective, but being a linear directionality measure has limited applicability. On the other hand, transfer entropy, despite being a robust nonlinear measure, is computationally intensive and practically implementable only for bivariate processes. The objective of this work is to develop a nonlinear directionality measure, termed as KPDC, that possesses the simplicity of PDC but is still applicable to nonlinear processes. The technique is founded on a nonlinear measure called correntropy, a recently proposed generalized correlation measure. The proposed method is equivalent to constructing PDC in a kernel space where the PDC is estimated using a vector autoregressive model built on correntropy. A consistent estimator of the KPDC is developed and important theoretical results are established. A permutation scheme combined with the sequential Bonferroni procedure is proposed for testing hypothesis on absence of causality. It is demonstrated through several case studies that the proposed methodology effectively detects Granger causality in nonlinear processes.

Driven surface diffusion occurs, for example, in molecular beam epitaxy when particles are deposited under an oblique angle. Elastic phase transitions happen when normal modes in crystals become soft due to the vanishing of certain elastic constants. We show that these seemingly entirely disparate systems fall under appropriate conditions into the same universality class. We derive the field-theoretic Hamiltonian for this universality class, and we use renormalized field theory to calculate critical exponents and logarithmic corrections for several experimentally relevant quantities.

We consider an invariant random matrix ensemble where the standard Gaussian potential is distorted by an additional single pole of arbitrary fixed order. Potentials with first- and second-order poles have been considered previously and found applications in quantum chaos and number theory. Here we present an application to mean-field glassy systems. We derive and solve the loop equation in the planar limit for the corresponding class of potentials. We find that the resulting mean or macroscopic spectral density is generally supported on two disconnected intervals lying on the two sides of the repulsive pole, whose edge points can be completely determined imposing the additional constraint of traceless matrices on average. For an unbounded potential with an attractive pole, we also find a possible one-cut solution for certain values of the couplings, which is ruled out when the traceless condition is imposed. Motivated by the calculation of the distribution of the spin-glass susceptibility in the Sherrington-Kirkpatrick spin-glass model, we consider in detail a second-order pole for a zero-trace model and provide the most explicit solution in this case. In the limit of a vanishing pole, we recover the standard semicircle. Working in the planar limit, our results apply to matrices with orthogonal, unitary, and symplectic invariance. Numerical simulations and an independent analytical Coulomb fluid calculation for symmetric potentials provide an excellent confirmation of our results.

Using molecular dynamics simulations, we study freezing of Lennard-Jones particles at commensurate substrate with triangular pattern. Throughout the box particles freeze onto the substrate and form close-packed layers. For the moderately attractive substrates, an intermediate hexatic phase between liquid and crystal is detected in the first two layers where the hexatic-solid freezing process is continuous while, counterintuitively, the liquid-hexatic process is of first order. Moreover, we observe that liquid-hexatic and hexatic-solid transitions shift towards higher temperatures with the attraction strength increasing. By contrast, the liquid-hexatic transition shifts faster than the hexatic-solid process, significantly widening the temperature range of the hexatic phase. When this phenomenon appears, freezing in the bulk always proceeds through a first-order transition at the same temperature. In addition, changes in the average structural order (three-dimensional) of the layers indicate that freezing processes in layers near substrates seem to cost the structural order of the bulk particles in their vicinity, and an intermediate prestructural cloud of medium-ordered particles is always observed before the layering freezing.

Self-assembly of nanoparticles is an important tool in nanotechnology, with numerous applications, including thin films, electronics, and drug delivery. We study the deposition of ionic nanoparticles on a glass substrate both experimentally and theoretically. Our theoretical model consists of a stochastic cooperative adsorption and evaporation process on a two-dimensional lattice. By exploring the relationship between the initial concentration of nanoparticles in the colloidal solution and the density of particles deposited on the substrate, we relate the deposition rate of our theoretical model to the concentration.

The structures of the discotic liquid crystalline (LC) phase of metal-free octa-substituted phthalocyanine (Pc) derivatives were investigated using molecular dynamics (MD) simulations. Special attention was paid to the LC phase structure of the non-peripheral octa-hexyl substituted Pc-derivatives that were recently found to show very high carrier mobilities for the discotic LCs. We obtained spontaneous transition to the columnar hexagonal $\left(\mathrm{Col}{}_h\right)$ LC phase in a melting simulation from the crystal structure obtained using an x-ray diffraction study. In this simulated $\mathrm{Col}{}_h$ structure, the Pc-core normal vectors were tilted $47{}^{\circ }$ from the column axis in parallel within each column, but the tilting directions are disordered between columns. We also found that the inter-core distance was not as large as previously suggested (0.4–0.5 nm) but similar to the common value (0.36 nm). This may resolve the contradiction between the high carrier mobility of the non-peripheral substituted Pcs, because larger inter-core separations degrade the mobilities.