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We report extensive simulation studies of phase behaviour in single component systems of particles interacting via a core-softened interparticle potential. Two recently proposed examples of such potentials are considered; one in which the…

Statistical Mechanics · Physics 2009-11-07 Nigel B. Wilding , James E. Magee

Compressing or cooling a fluid typically enhances its static interparticle correlations. However, there are notable exceptions. Isothermal compression can reduce the translational order of fluids that exhibit anomalous waterlike trends in…

Soft Condensed Matter · Physics 2008-04-11 William P. Krekelberg , Jeetain Mittal , Venkat Ganesan , Thomas M. Truskett

Pair distributions of fluids confined between two surfaces at close distance are of fundamental importance for a variety of physical, chemical, and biological phenomena, such as interactions between macromolecules in solution, surface…

Soft Condensed Matter · Physics 2013-11-01 Kim Nygård , Sten Sarman , Roland Kjellander

Using Newtonian and Brownian dynamics simulations, the structural and transport properties of hard and soft spheres have been studied. The soft spheres were modeled using inverse power potentials ($V\sim r^{-n}$, with $1/n$ the potential…

Soft Condensed Matter · Physics 2015-05-13 Erik Lange , Jose B. Caballero , Antonio M. Puertas , Matthias Fuchs

We study various manifestations of structural crossover in the properties of a binary mixture of hard-spheres. For homogeneous mixtures that are sufficiently asymmetric, there is a crossover line in the phase diagram such that for…

Soft Condensed Matter · Physics 2009-11-11 C. Grodon , M. Dijkstra , R. Evans , R. Roth

We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…

Soft Condensed Matter · Physics 2015-05-01 Jonathan A. Bollinger , Avni Jain , James Carmer , Thomas M. Truskett

One of the central problems of the liquid-glass transition is whether there is a structural signature that can qualitatively distinguish different dynamic behaviors at different degrees of supercooling. Here, we propose a novel structural…

Soft Condensed Matter · Physics 2015-09-24 Yan-Wei Li , You-Liang Zhu , Zhao-Yan Sun

Many investigations shed light on various correlations between structure and dynamics in supercooled liquids; however, a general relation between structure and dynamics remains elusive. This molecular dynamics simulation study identifies…

Soft Condensed Matter · Physics 2023-08-16 D. C. Thakur , Sandeep Kushawah , Jalim Singh , Anna Varughese , Prasanth P. Jose

We present a theoretical study of the phase diagram and the structure of a fluid adsorbed in high-porosity aerogels by means of an integral-equation approach combined with the replica formalism. To simulate a realistic gel environment, we…

Disordered Systems and Neural Networks · Physics 2009-11-07 V. Krakoviack , E. Kierlik , M. -L. Rosinberg , G. Tarjus

This work is devoted to analyze the relation between the thermodynamic properties of a confined fluid and the shape of its confining vessel. Recently, new insights in this topic were found through the study of cluster integrals for…

Statistical Mechanics · Physics 2016-03-09 Ignacio Urrutia

Two-length-scale pair potentials arise ubiquitously in condensed matter theory as effective interparticle interactions in molecular, metallic and soft matter systems. The existence of two different bond lengths generated by the shape of…

Chemical Physics · Physics 2020-11-25 R. E. Ryltsev , N. M. Chtchelkatchev , V. Ankudinov , V. N. Ryzhov , M. Apel , P. K. Galenko

In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…

Soft Condensed Matter · Physics 2025-10-09 Antoine Castagnède , Laura Filion , Frank Smallenburg

In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice with substrates of different hydrophilicity. Our study shows…

Soft Condensed Matter · Physics 2024-10-30 Łukasz Baran , Pablo Llombart , Luis G. MacDowell

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 channel size distribution in hard sphere systems, based on the local neighbor correlation of four particle positions, is investigated for all volume fractions up to jamming. For each particle, all three particle combinations of…

Disordered Systems and Neural Networks · Physics 2015-06-19 Vitaliy Ogarko , Nicolas Rivas , Stefan Luding

The structure of the Baxter adhesive hard sphere fluid is examined using computer simulation. The radial distribution function (which exhibits unusual discontinuities due to the particle adhesion) and static structure factor are calculated…

Soft Condensed Matter · Physics 2009-11-10 Mark A. Miller , Daan Frenkel

As amorphous materials get jammed, both geometric and dynamic heterogeneity are observed. We investigate the correlation between the local geometric heterogeneity and local rearrangements in a slowly compressed bidisperse…

Soft Condensed Matter · Physics 2024-03-21 Xin Du , Eric R. Weeks

Using confocal-microscopy we investigate the structure of binary mixtures of colloidal hard spheres with size ratio q=0.61. As a function of the packing fraction of the two particle species, we observe a marked change of the dominant…

Soft Condensed Matter · Physics 2007-10-04 Jörg Baumgartl , Roel P. A. Dullens , Marjolein Dijkstra , Roland Roth , Clemens Bechinger

The linear response description for impurity diffusion in a granular fluid undergoing homogeneous cooling is developed in the preceeding paper. The formally exact Einstein and Green-Kubo expressions for the self-diffusion coefficient are…

Soft Condensed Matter · Physics 2009-11-07 James Lutsko , J. Javier Brey , James W. Dufty

Many important properties of granular fluids can be represented by a system of hard spheres with inelastic collisions. Traditional methods of nonequilibrium statistical mechanics are effective for analysis and description of the inelastic…

Soft Condensed Matter · Physics 2009-11-07 James W. Dufty , J. Javier Brey , James Lutsko
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