Related papers: Pattern formation in binary fluid mixtures induced…
We propose and solve a simple model describing secondary structure formation in random hetero-polymers. It describes monomers with a combination of one-dimensional short-range interactions (representing steric forces and hydrogen bonds) and…
The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the…
Triangular lattice models for pattern formation by hard-core soft-shell particles at interfaces are introduced and studied in order to determine the effect of the shell thickness and structure. In model I, we consider particles with…
Reactions at a strongly segregated interface of a symmetric binary polymer blend are investigated via Monte Carlo simulations. End functionalized homopolymers of different species interact at the interface instantaneously and irreversibly…
We calculate the ground-state properties of fermionic dipolar atoms or molecules in a one-dimensional double-tube potential by using the Luttinger liquid theory and the density matrix renormalization-group calculation. When the external…
We present a lattice Monte Carlo algorithm based on the one originally proposed by Maggs and Rossetto for simulating electrostatic interactions in inhomogeneous dielectric media. The original algorithm is known to produce attractive…
In solution, electrically like-charged particles can experience a strong and long-ranged attraction that leads to the formation of stable, slowly reorganizing clusters. The attractive force underpinning this spontaneous organization process…
We derive a novel formulation for the interaction potential between deformable fibers due to short-range fields arising from intermolecular forces. The formulation improves the existing section-section interaction potential law for in-plane…
We study two dimensional stripe forming systems with competing repulsive interactions decaying as $r^{-\alpha}$. We derive an effective Hamiltonian with a short range part and a generalized dipolar interaction which depends on the exponent…
In this paper we present a detailed analytical study of the phase diagram and of the structural properties of a field theoretic model with a short-range attraction and a competing long-range screened repulsion. We provide a full derivation…
Long-range interactions are essential determinants of chemical system behaviour across diverse environments. We present a foundation framework that integrates explicit polarizable long-range physics with an equivariant graph neural network…
The dynamical correlations of a model consisting of particles constrained on the line and interacting with a nearest--neighbour Lennard--Jones potential are computed by molecular--dynamics simulations. A drastic qualitative change of the…
Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a…
We consider rapid cooling processes in classical, 3-dimensional, purely repulsive binary mixtures in which an initial infinite-temperature (ideal-gas) configuration is instantly quenched to zero temperature. It is found that such systems…
Off-diagonal (transverse) effects in micro-patterned geometries are predicted and analyzed within the general frame of linear response theory, relating applied presure gradient and electric field to flow and electric current. These effects…
Aiming to approach the thermodynamical properties of hard-core systems by standard molecular dynamics simulation, we propose setting a repulsive constant-force for overlapping particles. That is, the discontinuity of the pair potential is…
We consider a model with competing double-exchange (ferromagnetic) and super-exchange (anti-ferromagnetic) interactions in the regime where phase separation takes place. The presence of a long range Coulomb interaction frustrates a…
We investigate existence of stationary solutions to an aggregation/diffusion system of PDEs, modelling a two species predator-prey interaction. In the model this interaction is described by non-local potentials that are mutually…
We propose that the behavior of asymmetric binary fluid mixtures with a large class of attractive or repulsive interparticle interactions can be understood by mapping onto effective non-additive hard-sphere models. The latter are best…
When a film of a liquid suspension of nanoparticles or a polymer solution is deposited on a surface, it may dewet from the surface and as the solvent evaporates the solute particles/polymer can be deposited on the surface in regular line…