Related papers: The average free volume model for the ionic and si…
Typical properties of glassy materials are shown to be captured by a mean-field free-volume theory. Relaxation processes are supposed to be free-volume activated, and different entropy barriers are associated with density relaxation and…
We propose to describe the acceleration of the universe by introducing a model of two coupled fluids. We focus on the accelerated expansion at the early stages. The inflationary expansion is described in terms of a van der Waals equation of…
We report data of the O2- ion mobility in neon gas over broad density and temperature ranges along with its theoretical description in terms of the thermodynamic, free volume model that has successfully been adopted for the interpretation…
In this work, relationships between the free volume and various fundamental physical properties (density, surface tension and transport properties) of ionic liquids were investigated. Two imidazolium ionic liquids…
Contrary to the case of solids and gases, where Debye theory and kinetic theory offer a good description for most of the physical properties, a complete theoretical understanding of the vibrational and thermodynamic properties of liquids is…
In this paper, a formalism for the activation volume of glass forming materials is suggested. An isothermal equation of state for the activation volume is formulated, which is extended to a generalized equation of state that describes the…
Motivated by a long-standing debate concerning the nature and interrelations of surface-tension variables in fluid membranes, we reformulate the thermodynamics of a membrane vesicle as a generic two-dimensional finite system enclosing a…
In this third paper of the series, which started with [N. P. Bailey et al., J. Chem. Phys. 129, 184507 and 184508 (2008)], we continue the development of the theoretical understanding of strongly correlating liquids - those whose…
We present molecular dynamics simulations studying the influence of pressure on the correlation between the constant-volume thermal equilibrium fluctuations of virial W and potential energy U, focusing on liquids that are not strongly…
Previous experiments and numerical simulations have revealed that a limited number of two- and three-dimensional particle systems contract in volume upon heating isobarically. This anomalous phenomenon is known as negative thermal expansion…
The purpose of this paper is to study thermodynamic length of an isochoric two dimensional thermodynamic system with constant heat capacity. We find that length is related to the heat flow into the substance. We give examples of Ideal gas…
A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…
It was recently shown by computer simulations that a large class of liquids exhibits strong correlations in their thermal fluctuations of virial and potential energy [Pedersen et al., Phys. Rev. Lett. 100, 015701 (2008)]. Among organic…
Over the past few decades the experimental literature has consistently reported observations of attraction between like-charged colloidal particles and macromolecules in solution. Examples include nucleic acids and colloidal particles in…
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…
The effects of a finite system volume on thermodynamic quantities, such as the pressure, energy density, specific heat, speed of sound, conserved charge susceptibilities and correlations, in hot and dense strongly interacting matter are…
We report experimental data of the mobility of O\(_2^-\) ions in argon gas as a function of the density in the temperature range between \(180\,\mbox{K}\le T\le 300\,\mbox{K}\). At the intermediate, though fairly large, densities of the…
Using an athermal quasistatic simulation protocol, we study the distribution of free volumes in sheared hard-particle packings close to, but below, the random-close packing threshold. We show that under shear, and independent of volume…
This paper presents a study on the relationship between transport properties and geometric free volume for hard sphere (HS) system in dense fluid region. Firstly, a generic free volume distribution function is proposed based on recent…
The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2.…