Related papers: Computer simulation study of the closure relations…
The structure of the double-layer formed at the surface of carbon electrodes is governed by the interactions between the electrode and the electrolyte species. However, carbon is notoriously difficult to simulate accurately, even with…
We calculated the spatial distribution of reduced density and pair distribution function (PDF) of solvent hard spheres near a solute using three-dimensional Ornstein-Zernike (OZ) equations coupled with closures in which Percus-Yevick (PY)…
The collision of a rising bubble with a superhydrophilic horizontal surface is studied numerically using the Cahn-Hilliard diffuse-interface method. For the studied systems, the Bond number, $Bo=\rho R^2 g/\sigma$, varies between 0.25 to…
Context. Binary star systems allow us to study the planet formation process under extreme conditions. In the early stages, these systems contain a circumbinary disk and a disk around each star. To model the interactions between these disks…
Using transfer matrices up to next-nearest-neighbour (NNN) interactions, we examine the structural correlations of quasi-one-dimensional systems of hard disks confined by two parallel lines and hard spheres confined in cylinders.…
We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi - density formalism. We specifically consider the case of an associating hard sphere with two association…
We study a model quantum dot system in an external magnetic field by using both the spin-density-functional theory and the current-spin-density-functional theory. The theories are used with local approximations for the spin-density and the…
Using Monte Carlo simulation, we study a fluid of two-dimensional hard rods inside a small circular cavity bounded by a hard wall, from the dilute regime to the high-density, layering regime. Both planar and homeotropic anchoring of the…
We study the Couette flow of a quasi-2d soft-glassy material in a Hele-Shaw geometry. The material is chosen to be above the jamming point, where a yield stress $\sigma_Y$ emerges, below which the material deforms elastically and above…
We numerically study two-component capillary bridges formed when a liquid droplet is placed in between two liquid infused surfaces (LIS). In contrast to commonly studied one-component capillary bridges on non-infused solid surfaces,…
We construct a non-perturbative fully analytical approximation for the thermodynamics and the structure of nonadditive hard-sphere fluid mixtures. The method essentially lies in a heuristic extension of the Percus-Yevick solution for…
We present the theory of liquid bridges between two axisymmetric solids, sphere and plane, with prescribed contact angles in a general setup, when the solids are non-touching, touching or intersecting, We give a detailed derivation of…
Quantum Monte Carlo simulations are used to investigate the two-dimensional superfluid properties of the hard-core boson model, which show a strong dependence on particle density and disorder. We obtain further evidence that a half-filled…
Simulating open quantum systems is key to understanding non-equilibrium processes, as persistent influence from the environment induces dissipation and can give rise to steady-state phase transitions. A common strategy is to embed the…
We study the adsorption of primitive model electrolytes into a layered slit system using grand canonical Monte Carlo simulations. The slit system contains a series of charged membranes. The ions are forbidden from the membranes, while they…
Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence…
A theoretical description for the radial density profile of a finite number of identical charged particles confined in a harmonic trap is developed for application over a wide range of Coulomb coupling (or, equivalently, temperatures) and…
We devise an iterative scheme for numerically calculating dynamical two-point correlation functions in integrable many-body systems, in the Eulerian scaling limit. Expressions for these were originally derived in Ref. [1] by combining the…
The role of a matrix response to a fluid insertion is analyzed in terms of a perturbation theory and Monte Carlo simulations applied to a hard sphere fluid in a slit of fluctuating density-dependent width. It is demonstrated that a coupling…
The properties of one-dimensional liquids are studied for several interaction potentials for which, under certain assumptions, the properties of the system admit an analytical solution. The studied potentials are the triangle-well and the…