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Building on a quasi-chemical formulation of solution theory, this paper proposes a self consistent molecular field theory for packing problems in classical liquids, and tests the theoretical predictions for the excess chemical potential of…
Finite volume corrections to higher moments are important observable quantities. They make possible to differentiate between different statistical ensembles even in the thermodynamic limit. It is shown that this property is a universal one.…
We analyze the extrapolation to the thermodynamic limit of Fermi liquid properties of the homogeneous electron gas in two and three dimensions. Using field theory, we explicitly calculate finite-size effects of the total energy, the…
The Barker-Henderson perturbation theory is a bedrock of liquid-state physics, providing quantitative predictions for the bulk thermodynamic properties of realistic model systems. However, this successful method has not been exploited for…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
The properties of dense granular systems are analyzed from a hydrodynamical point of view, based on conservation laws for the particle number density and linear momentum. We discuss averaging problems associated with the nature of such…
For systems that self assemble into finite-sized objects, it is sometimes convenient to compute the thermodynamics for a small system where a single assembly can form. However, we show that in the canonical ensemble the use of small systems…
In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme…
The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…
Quantum fluid (or hydrodynamic) models provide an attractive alternative for the modeling and simulation of the electron dynamics in nano-scale objects. Compared to more standard approaches, such as density functional theory or phase-space…
The organization of water molecules and ions between charged mineral surfaces determines the stability of colloidal suspensions and the strength of phase-separated particulate gels. In this article we assemble a density functional that…
This work presents a multidisciplinary mathematical model, as a set of coupled governing equations and auxiliary relations describing the fluid-flow, thermal, and electric fields of partially-ionized plasma with low magnetic Reynolds…
We numerically study the finite-size droplet condensation-evaporation transition in two dimensions. We consider and compare two orthogonal approaches, namely at fixed temperature and at fixed density, making use of parallel multicanonical…
Recently, based on the method of collective variables the statistical field theory for multicomponent inhomogeneous systems was formulated [O. Patsahan, I. Mryglod, J.-M. Caillol, Journal of Physical Studies, 2007, 11, 133]. In this letter…
We provide a comprehensive picture for the formulation of the perfect fluid in the modern effective field theory formalism at both the classical and quantum level. Due to the necessity of decomposing the hydrodynamical variables $(\rho, p,…
We propose a new numerical method to solve the Cahn-Hilliard equation coupled with non-linear wetting boundary conditions. We show that the method is mass-conservative and that the discrete solution satisfies a discrete energy law similar…
The two-dimensional ideal (Euler) fluids can be described by the classical fields of streamfunction, velocity and vorticity and, in an equivalent manner, by a model of discrete point-like vortices interacting in plane by a self-generated…
A new model for the electrical conductivity of dense plasmas with a mixture of ion species, containing no adjustable parameters, is presented. The model takes the temperature, mass density and relative abundances of the species as input. It…
In present work, we discuss some topological features of charged particles interacting a uniform magnetic field in a finite volume. The edge state solutions are presented, as a signature of non-trivial topological systems, the energy…
We study the critical Ising model on the square lattice in bounded simply connected domains with + and free boundary conditions. We relate the energy density of the model to a fermionic observable and compute its scaling limit by discrete…