Related papers: Structural and thermodynamic properties of fluids …
We study thermophysical properties of a Janus fluid with constrained orientations, using analytical techniques and numerical simulations. The Janus character is modeled by means of a Kern-Frenkel potential where each sphere has one…
Incompressible fluids on curved surfaces are considered with respect to the interplay between topology, geometry and fluid properties using a surface vorticity-stream function formulation, which is solved using parametric finite elements.…
We report a detailed simulation study of the phase behavior of core softened system with attractive well. Different repulsive shoulder widthes and attractive well depthes are considered which allows to monitor the influence of repulsive 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…
Within the framework of the local-equilibrium approach, the equilibrium and nonequilibrium properties relevant to the hydrodynamics of the perfect hard-sphere crystal are obtained with molecular dynamics simulations using the Helfand…
We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
The van der Waals (vdW) theory of fluids is the first and simplest theory that takes into account interactions between the particles of a system that result in a phase transition versus temperature. Combined with Maxwell's construction,…
Three structural populations with distinct average mobility are identified within an equilibrium two-dimensional Lennard-Jones fluid simulated via molecular dynamics at a constant temperature and varying density. Quantifying the structure…
Multiparticle collision dynamics (MPCD) enables to simulate fluid dynamics including both hydrodynamics and thermal fluctuations. Its main use concerns complex fluids, where the solvent interacts with concentrated solutes, may they be…
The hard-sphere potential has become a cornerstone in the study of both molecular and complex fluids. Despite its mathematical simplicity, its implementation in fixed time-step molecular simulations remains a formidable challenge due to the…
A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on comparing the third virial…
Motivated by the unique physical properties of {\em biological active matter}, e.g., cytoskeletal dynamics in eukaryotic cells, we set up {\em effective} two-dimensional (2d) coarse-grained hydrodynamic equations for the dynamics of thin…
This paper describes the results of our theoretical and numerical studies of hydrodynamic interactions in a suspension of spherical particles confined between two parallel planar walls, under creeping-flow conditions. We propose a novel…
We describe a finite inhomogeneous three dimensional system of classical particles which interact through short and (or) long range interactions by means of a simple analytic spin model. The thermodynamic properties of the system are worked…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
A comprehensive, semi-quantitative model for the thermodynamics of hydrophobic solvation is presented. The model is based on a very simple premise suggested by the scaled particle theory and treats both solute and solvent molecules as hard…
We study a one-dimensional fluid of hard-rods interacting each other via binary inelastic collisions and a short ranged square-well potential. Upon tuning the depth and the sign of the well, we investigate the interplay between dissipation…
We investigate the thermal behavior of quarks and antiquarks interacting via a temperature-dependent linear potential. The quarks are constituent quarks with dynamically generated masses from the background linear $\sigma$-model.We find a…
A free-energy functional for a crystal proposed by Singh and Singh (Europhys. Lett. {\bf {88}}, 16005 (2009)) and which contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to…