Pattern Avoidance in k-ary Heaps

In this paper, we consider pattern avoidance in k-ary heaps, where the permutation associated with the heap is found by recording the nodes as they are encountered in a breadth-first search. We enumerate heaps that avoid patterns of length 3 and collections of patterns of length 3, first with binary heaps and then more generally with k-ary heaps

A close look into the excluded volume effects within a double layer

We explore the effect of steric interaction on the ionic density distribution near a charged hard wall. For weakly charged walls, small particles, and monovalent ions the mean-field Poisson-Boltzmann equation provides an excellent description of the density profiles. For large ions and large surface charges, however, deviations appear. To explore these, we use the density functional theory. We find that local density functionals are not able to account for steric interactions near a wall. Based on the weighted density approximation we derive a simple analytical expression for the contact electrostatic potential which allows us to analytically calculate the differential capacitance of the double layer

Thermodynamic collapse in a lattice-gas model for a two-component system of penetrable particles

We study a lattice-gas model of penetrable particles on a square-lattice substrate with same-site and nearest-neighbor interactions. Penetrability implies that the number of particles occupying a single lattice site is unlimited and the model itself is intended as a simple representation of penetrable particles encountered in realistic soft-matter systems. Our specific focus is on a binary mixture, where particles of the same species repel and those of the opposite species attract each other. As a consequence of penetrability and the unlimited occupation of each site, the system exhibits thermodynamic collapse, which in simulations is manifested by an emergence of extremely dense clusters scattered throughout the system with energy of a cluster $E\propto -n^2$ where $n$ is the number of particles in a cluster. After transforming a particle system into a spin system, in the large density limit the Hamiltonian recovers a simple harmonic form, resulting in the discrete Gaussian model used in the past to model the roughening transition of interfaces. For finite densities, due to the presence of a non-harmonic term, the system is approximated using a variational Gaussian model

Thermodynamic collapse in a lattice-gas model for a two-component system of penetrable particles

We study a lattice-gas model of penetrable particles on a square-lattice substrate with same-site and nearestneighbor interactions. Penetrability implies that the number of particles occupying a single lattice site is unlimited and the model itself is intended as a simple representation of penetrable particles encountered in realistic soft-matter systems. Our specific focus is on a binary mixture, where particles of the same species repel and those of the opposite species attract each other. As a consequence of penetrability and the unlimited occupation of each site, the system exhibits thermodynamic collapse, which in simulations is manifested by an emergence of extremely dense clusters scattered throughout the system with energy of a cluster E ∝ −n2, where n is the number of particles in a cluster. After transforming a particle system into a spin system, in the large density limit the Hamiltonian recovers a simple harmonic form, resulting in the discrete Gaussian model used in the past to model the roughening transition of interfaces. For finite densities, due to the presence of a nonharmonic term, the system is approximated using a variational Gaussian model

Pattern avoidance in forests of binary shrubs

We investigate pattern avoidance in permutations satisfying some additional restrictions. These are naturally considered in terms of avoiding patterns in linear extensions of certain forest-like partially ordered sets, which we call binary shrub forests. In this context, we enumerate forests avoiding patterns of length three. In four of the five non-equivalent cases, we present explicit enumerations by exhibiting bijections with certain lattice paths bounded above by the line y = lx, for some l in Q+, one of these being the celebrated Duchon’s club paths with l = 2/3. In the remaining case, we use the machinery of analytic combinatorics to determine the minimal polynomial of its generating function, and deduce its growth rate

Two-component Gaussian core model: strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition

In the present work we investigate a gas-liquid transition in a two-component Gaussian core model, where particles of the same species repel and those of different species attract. Unlike a similar transition in a one-component system with particles having attractive interactions at long separations, and repulsive interactions at short separations, a transition in the two-component system is not driven solely by interactions, but by a specific feature of the interactions, the correlations. This leads to extremely low critical temperature, as correlations are dominant in the strong-coupling limit. By carrying out various approximations based on standard liquid-state methods, we show that a gas-liquid transition of the two-component system posses a challenging theoretical problem

Charge regulation of colloidal particles : theory and simulations

To explore charge regulation (CR) in physicochemical and biophysical systems, we present a model of colloidal particles with sticky adsorption sites which account for the formation of covalent bonds between the hydronium ions and the surface functional groups. Using this model and Monte Carlo simulations, we find that the standard Ninham and Parsegian (NP) theory of CR leads to results which deviate significantly from computer simulations. The problem with the NP approach is traced back to the use of a bulk equilibrium constant to account for surface chemical reactions. To resolve this difficulty we present a new theory of CR. The fundamental ingredient of the new approach is the sticky length, which is nontrivially related to the bulk equilibrium constant. The theory is found to be in excellent agreement with computer simulations, without any adjustable parameters. As an application of the theory we calculate the effective charge of colloidal particles containing carboxyl groups, as a function of pH and salt concentration