Related papers: Penetrable-Square-Well fluids: Analytical study an…
We have studied the connectivity percolation transition in suspensions of attractive square-well spherocylinders by means of Monte Carlo simulation and connectednes percolation theory. In the 1980s the percolation threshold of slender…
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…
Hydrophobic interactions are central to biological self-assembly and soft matter organization, yet their microscopic origins remain debated. A key hallmark is the strengthening of attraction between hydrophobic solutes with increasing…
The effective quasistatic conductivity of composite polymeric electrolytes is studied in terms of a hard-core--penetrable-layer model. Used to incorporate the interface phenomena (such as amorphization of the polymer matrix around filler…
This work explores the lift force experienced by a particle moving in a viscous fluid near a liquid-liquid interface. The lift force is induced by the interaction between the viscous flow generated by the particle's motion and the…
In the present paper we propose the van der Waals-like model, which allows a purely analytical study of fluid properties including the equation of state, phase behavior and supercritical fluctuations. We take a square-well system as an…
We study the structural and thermodynamic properties of a model of point particles interacting by means of a Gaussian pair potential first introduced by Stillinger [Stillinger F H 1976 J. Chem. Phys. 65, 3968]. By employing integral…
Diffuse-interface theory provides a foundation for the modeling and simulation of microstructure evolution in a very wide range of materials, and for the tracking/capturing of dynamic interfaces between different materials on larger scales.…
We explore the structural properties of anomalous fluids confined in a nanopore using Molecular Dynamics simulations. The fluid is modeled by core-softened (CS) potentials that have a repulsive shoulder and an attractive well at a further…
Many engineering and physiological applications deal with situations when a fluid is moving in flexible tubes with elastic walls. In the real-life applications like blood flow, there is often an additional complexity of vorticity being…
The simplest bounded potential is that of penetrable spheres, which takes a positive finite value $\epsilon$ if the two spheres are overlapped, being 0 otherwise. In this paper we derive the cavity function to second order in density and…
We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The…
Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting particles. Here we introduce an approach to model spherical…
Monte Carlo simulations of lattice quantum field theories on Lefschetz thimbles are non trivial. We discuss a new Monte Carlo algorithm based on the idea of computing contributions to the functional integral which come from complete flow…
Collective behavior of self-propelled particles is observed on a microscale for swimmers such as sperm and bacteria as well as for protein filaments in motility assays. The properties of such systems depend both on their dimensionality and…
Thermodynamic geometry of two-dimensional fluids has been investigated using a square-well model as a prototype fluid. A comparison with the three-dimensional case is performed in the subcritical and supercritical domains of thermodynamic…
We use computer simulations to study the glass transition of dense fluids made of polydisperse, repulsive spheres. For hard particles, we vary the volume fraction, phi, and use compressible particles to explore finite temperatures, T>0. In…
Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric…
In this study, we investigate the dynamics of particles overcoming the hydrodynamic barrier posed by a thin fluid film to achieve contact in finite time, a phenomenon critical in various natural and engineered processes such as enzyme…
The Wigner formulation of quantum mechanics is used to derive a new path integral representation of quantum density of states. A path integral Monte Carlo approach is developed for the numerical investigation of density of states, internal…