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In the spirit of the White-Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state. In addition to the…

Soft Condensed Matter · Physics 2009-11-11 Hendrik Hansen-Goos , Roland Roth

We describe an educational simulation of some effects within the gas of hard spheres. The focus of the presented simulation is on the comprehension of random character of the velocity of molecules in the gas and of the energy at fixed…

Physics Education · Physics 2008-11-06 Michal Meres , Boris Tomasik

At present, many laboratories are performing experiments to simulate theoretical models of strongly correlated systems using cold atoms in optical lattices, a program referred to as "Quantum Simulation". It is hoped that these experiments…

Superconductivity · Physics 2016-11-07 Tin-Lun Ho , Qi Zhou

While hard-sphere models form the foundation of theoretical condensed matter physics, real systems often exhibit some degree of softness. We present a theoretical and numerical study of a class of nearly hard-sphere systems, generalized…

Soft Condensed Matter · Physics 2025-07-22 Ulf R. Pedersen

We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous crystal nucleation for the simple model…

Soft Condensed Matter · Physics 2014-02-03 Francesco Turci , Tanja Schilling , Mohammad Hossein Yamani , Martin Oettel

We have carried out molecular dynamics simulations of the crystallization of hard spheres modelling colloidal systems that are studied in conventional and space-based experiments. We use microscopic probes to investigate the effects of…

Condensed Matter · Physics 2009-11-07 Igor Volkov , Marek Cieplak , Joel Koplik , Jayanth R. Banavar

Fluids consisting of hard platelike particles near a hard wall are investigated using density functional theory. The density and orientational profiles as well as the surface tension and the excess coverage are determined and compared with…

Statistical Mechanics · Physics 2009-11-07 L. Harnau , S. Dietrich

In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, the complex thermodynamics of crystal nuclei can sometimes…

Soft Condensed Matter · Physics 2025-02-19 Marjolein de Jager , Carlos Vega , Pablo Montero de Hijes , Frank Smallenburg , Laura Filion

We represent the free energy functional by a diagrammatic series with tensorial coefficients indexed by powers of length scale. For hard cores, we obtain Percus' exact functional in one dimension and the Kierlik-Rosinberg form of…

Soft Condensed Matter · Physics 2015-05-27 Gavin Leithall , Matthias Schmidt

We develop a classical density functional for water which combines the White Bear fundamental-measure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the Statistical Associating Fluid Theory…

Soft Condensed Matter · Physics 2013-09-10 Jessica Hughes , Eric Krebs , David Roundy

We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different…

Soft Condensed Matter · Physics 2014-06-03 Dalila Vescovi , Diego Berzi , Patrick Richard , Nicolas Brodu

We analyze the density distribution and the adsorption of solvent hard spheres in an annular slit formed by two large solute spheres or a large solute and a wall at close distances by means of fundamental measure density functional theory,…

Soft Condensed Matter · Physics 2010-09-06 V. Botan , F. Pesth , T. Schilling , M. Oettel

Particle simulations confined by sharp walls usually develop an oscillatory density profile. For some applications, most notably soft matter liquids, this behavior is often unrealistic and one expects a monotonic density climb instead. To…

Computational Physics · Physics 2016-11-02 Airidas Korolkovas

The Partition function of two Hard Spheres in a Hard Wall Pore is studied appealing to a graph representation. The exact evaluation of the canonical partition function, and the one-body distribution function, in three different shaped pores…

Statistical Mechanics · Physics 2015-05-18 Ignacio Urrutia

Model of hard sphere system is important part of modern theories of liquids. Radial distribution function of hard sphere fluid represented in form of explicit analytical expression allows to obtain thermodynamic potentials in analytical…

Statistical Mechanics · Physics 2016-10-11 Timur Aslyamov

The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…

Computational Physics · Physics 2021-01-04 James F. Lutsko , Cédric Schoonen

Using event-driven molecular dynamics simulations, we quantify how the self diffusivity of confined hard-sphere fluids depends on the nature of the confining boundaries. We explore systems with featureless confining boundaries that treat…

Soft Condensed Matter · Physics 2015-05-30 William P. Krekelberg , Vincent K. Shen , Jeffrey R. Errington , Thomas M. Truskett

Over the past two decades, a large number of studies addressed the topic of crystal nucleation in suspensions of hard spheres. The shared result of all these efforts is that, at low super-saturations, experimentally observed nucleation…

Soft Condensed Matter · Physics 2022-06-22 Wilkin Wöhler , Tanja Schilling

We use analytical calculations and event-driven molecular dynamics simulations to study a small number of hard sphere particles in a spherical cavity. The cavity is taken also as the thermal bath so that the system thermalizes by collisions…

Soft Condensed Matter · Physics 2014-09-30 Ignacio Urrutia , Claudio Pastorino

In this article we report on a study of the near-wall dynamics of suspended colloidal hard spheres over a broad range of volume fractions. We present a thorough comparison of experimental data with predictions based on a virial…