A model for the atomic-scale structure of a dense, nonequilibrium fluid: the homogeneous cooling state of granular fluids

It is shown that the equilibrium Generalized Mean Spherical Model of fluid structure may be extended to nonequilibrium states with equation of state information used in equilibrium replaced by an exact condition on the two-body distribution function. The model is applied to the homogeneous cooling state of granular fluids and upon comparison to molecular dynamics simulations is found to provide an accurate picture of the pair distribution function.Comment: 29 pages, 11 figures Revision corrects formatting of the figure

Long-Ranged Correlations in Sheared Fluids

The presence of long-ranged correlations in a fluid undergoing uniform shear flow is investigated. An exact relation between the density autocorrelation function and the density-mometum correlation function implies that the former must decay more rapidly than $1/r$, in contrast to predictions of simple mode coupling theory. Analytic and numerical evaluation of a non-perturbative mode-coupling model confirms a crossover from $1/r$ behavior at ''small'' $r$ to a stronger asymptotic power-law decay. The characteristic length scale is $\ell \approx \sqrt{\lambda_{0}/a}$ where $$ is the sound damping constant and $a$ is the shear rate.Comment: 15 pages, 2 figures. Submitted to PR

Montecarlo simulation of the role of defects as the melting mechanism

We study in this paper the melting transition of a crystal of fcc structure with the Lennard-Jones potential, by using isobaric-isothermal Monte Carlo simulations. Local and collective updates are sequentially used to optimize the convergence. We show the important role played by defects in the melting mechanism in favor of modern melting theories.Comment: 6 page, 10 figures included. Corrected version to appear in Phys. Rev.

Tracer diffusion in granular shear flows

Tracer diffusion in a granular gas in simple shear flow is analyzed. The analysis is made from a perturbation solution of the Boltzmann kinetic equation through first order in the gradient of the mole fraction of tracer particles. The reference state (zeroth-order approximation) corresponds to a Sonine solution of the Boltzmann equation, which holds for arbitrary values of the restitution coefficients. Due to the anisotropy induced in the system by the shear flow, the mass flux defines a diffusion tensor $D_{ij}$ instead of a scalar diffusion coefficient. The elements of this tensor are given in terms of the restitution coefficients and mass and size ratios. The dependence of the diffusion tensor on the parameters of the problem is illustrated in the three-dimensional case. The results show that the influence of dissipation on the elements $D_{ij}$ is in general quite important, even for moderate values of the restitution coefficients. In the case of self-diffusion (mechanically equivalent particles), the trends observed in recent molecular dynamics simulations are similar to those obtained here from the Boltzmann kinetic theory.Comment: 5 figure

Diffusion of impurities in a granular gas

Diffusion of impurities in a granular gas undergoing homogeneous cooling state is studied. The results are obtained by solving the Boltzmann--Lorentz equation by means of the Chapman--Enskog method. In the first order in the density gradient of impurities, the diffusion coefficient $D$ is determined as the solution of a linear integral equation which is approximately solved by making an expansion in Sonine polynomials. In this paper, we evaluate $D$ up to the second order in the Sonine expansion and get explicit expressions for $D$ in terms of the restitution coefficients for the impurity--gas and gas--gas collisions as well as the ratios of mass and particle sizes. To check the reliability of the Sonine polynomial solution, analytical results are compared with those obtained from numerical solutions of the Boltzmann equation by means of the direct simulation Monte Carlo (DSMC) method. In the simulations, the diffusion coefficient is measured via the mean square displacement of impurities. The comparison between theory and simulation shows in general an excellent agreement, except for the cases in which the gas particles are much heavier and/or much larger than impurities. In theses cases, the second Sonine approximation to $D$ improves significantly the qualitative predictions made from the first Sonine approximation. A discussion on the convergence of the Sonine polynomial expansion is also carried out.Comment: 9 figures. to appear in Phys. Rev.

A new approach for the limit to tree height using a liquid nanolayer model

Liquids in contact with solids are submitted to intermolecular forces inferring density gradients at the walls. The van der Waals forces make liquid heterogeneous, the stress tensor is not any more spherical as in homogeneous bulks and it is possible to obtain stable thin liquid films wetting vertical walls up to altitudes that incompressible fluid models are not forecasting. Application to micro tubes of xylem enables to understand why the ascent of sap is possible for very high trees like sequoias or giant eucalyptus.Comment: In the conclusion is a complementary comment to the Continuum Mechanics and Thermodynamics paper. 21 pages, 4 figures. Continuum Mechanics and Thermodynamics 20, 5 (2008) to appea