Related papers: Clustering in complex ionic liquids in two dimensi…
Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…
We present a comparative computer simulation study of the phase diagrams and anomalous behavior of two-dimensional ($2D$) and quasi-two-dimensional ($q2D$) classical particles interacting with each other through isotropic core-softened…
Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a…
Hypothesis:Diffusion in confinement is an important fundamental problem with significant implications for applications of supported liquid phases. However, resolving the spatially dependent diffusion coefficient, parallel and perpendicular…
The droplet crystal phase of a symmetric binary mixture of Rydberg-blockaded dipolar Bose gases is studied by computer simulation. At high temperature each droplet comprises on average equal numbers of particles of either component, but the…
Adsorption on a boundary line confining a monolayer of particles self-assembling into clusters is studied by MC simulations. We focus on a system of particles interacting via competing interaction potential in which effectively short-range…
Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective…
Recent studies have shown the fluid of hard right triangles to possess fourfold and quasi-eightfold (octatic) orientational symmetries. However, the standard density-functional theory for two-dimensional anisotropic fluids, based on…
Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a…
We report a molecular dynamics simulation of a supercooled simple monatomic glass-forming liquid. It is found that the onset of the supercooled regime results in formation of distinct domains of slow diffusion which are confined to the…
We investigate the clustering and phase separation of a model of ultrasoft, oppositely charged macroions by a combination of Monte Carlo and Molecular Dynamics simulations. Static and dynamic diagnostics, including the dielectric…
On the basis of the experimental data we suggest that water monomers could be trapped in channels running through ice-like clusters in water. Our argument relies on a simple model that describes the motion of a dipole particle inside a…
We use coarse-grained Monte Carlo simulations to study the elastic properties of charged membranes in solutions of monovalent and pentavalent counterions. The simulation results of the two cases reveal trends opposite to each other. The…
Close-packed, classical dimer models on three-dimensional, bipartite lattices harbor a Coulomb phase with power-law correlations at infinite temperature. Here, we discuss the nature of the thermal phase transition out of this Coulomb phase…
We study critical behavior in the classical cubic dimer model (CDM) in the presence of a finite density of monomers. With attractive interactions between parallel dimers, the monomer-free CDM exhibits an unconventional transition from a…
Scaled particle theory for a binary mixture of hard discorectangles and for a binary mixture of hard rectangles is used to predict possible liquid-crystal demixing scenarios in two dimensions. Through a bifurcation analysis from the…
Coulomb drag experiments can give us information about the interaction state of double-layer systems. Here, we demonstrate anomalous Coulomb drag behaviours in a two-dimensional electron-electron bilayer system constructed by stacking…
We study a 1-D granular gas of point-like particles not subject to gravity between two walls at temperatures T_left and T_right. The system exhibits two distinct regimes, depending on the normalized temperature difference Delta = (T_right -…
We present results of monomer-resolved Monte Carlo simulations for a system of amphiphilic dendrimers of second generation. Our investigations validate a coarse-grained level description based on the zero-density limit effective…
The static and the dynamic properties of a size-polydisperse model ionic liquid is studied using molecular dynamics simulations. Here, size of the anions is derived from a Gaussian distribution while keeping cation size fixed, resulting in…