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Andrés Santos

Publications and source records attributed to Andrés Santos.

At least 109 records · Page 6Linked to original sources
arXiv2012

Unsteady non-Newtonian hydrodynamics in granular gases

The temporal evolution of a dilute granular gas, both in a compressible flow (uniform longitudinal flow) and in an incompressible flow (uniform shear flow), is investigated by means of the direct simulation Monte Carlo method to solve the Boltzmann equation. Emphasis is laid on the identification of a first "kinetic" stage (where the physical properties are strongly dependent on the initial state) subsequently followed by an unsteady "hydrodynamic" stage (where the momentum fluxes are well-defined non-Newtonian functions of the rate of strain). The simulation data are seen to support this two-stage scenario. Furthermore, the rheological functions obtained from simulation are well described by an approximate analytical solution of a model kinetic equation.

cond-mat.soft↗
arXiv2011

Communication: Inferring the equation of state of a metastable hard-sphere fluid from the equation of state of a hard-sphere mixture at high densities

A possible approximate route to obtain the equation of state of the monodisperse hard-sphere system in the metastable fluid region from the knowledge of the equation of state of a hard-sphere mixture at high densities is discussed. The proposal is illustrated by using recent Monte Carlo simulation data for the pressure of a binary mixture. It is further shown to exhibit high internal consistency.

cond-mat.soft↗
arXiv2011

Exact solution of the Percus-Yevick integral equation for fluid mixtures of hard hyperspheres

Structural and thermodynamic properties of multicomponent hard-sphere fluids at odd dimensions have recently been derived in the framework of the rational function approximation (RFA) [Rohrmann and Santos, Phys. Rev. E \textbf{83}, 011201 (2011)]. It is demonstrated here that the RFA technique yields the exact solution of the Percus-Yevick (PY) closure to the Ornstein-Zernike (OZ) equation for binary mixtures at arbitrary odd dimensions. The proof relies mainly on the Fourier transforms $\hat{c}_{ij}(k)$ of the direct correlation functions defined by the OZ relation. From the analysis of the poles of $\hat{c}_{ij}(k)$ we show that the direct correlation functions evaluated by the RFA method vanish outside the hard core, as required by the PY theory.

cond-mat.stat-mech↗
arXiv2011

Nonadditive hard-sphere fluid mixtures: A simple analytical theory

We construct a non-perturbative fully analytical approximation for the thermodynamics and the structure of nonadditive hard-sphere fluid mixtures. The method essentially lies in a heuristic extension of the Percus-Yevick solution for additive hard spheres. Extensive comparison with Monte Carlo simulation data shows a generally good agreement, especially in the case of like-like radial distribution functions.

cond-mat.soft↗
arXiv2011

Homogeneous Free Cooling State in Binary Granular Fluids of Inelastic Rough Hard Spheres

In a recent paper [A. Santos, G. M. Kremer, and V. Garzó, \emph{Prog. Theor. Phys. Suppl.} \textbf{184}, 31-48 (2010)] the collisional energy production rates associated with the translational and rotational granular temperatures in a granular fluid mixture of inelastic rough hard spheres have been derived. In the present paper the energy production rates are explicitly decomposed into equipartition rates (tending to make all the temperatures equal) plus genuine cooling rates (reflecting the collisional dissipation of energy). Next the homogeneous free cooling state of a binary mixture is analyzed, with special emphasis on the quasi-smooth limit. A previously reported singular behavior (according to which a vanishingly small amount of roughness has a finite effect, with respect to the perfectly smooth case, on the asymptotic long-time translational/translational temperature ratio) is further elaborated. Moreover, the study of the time evolution of the temperature ratios shows that this dramatic influence of roughness already appears in the transient regime for times comparable to the relaxation time of perfectly smooth spheres.

cond-mat.soft↗
arXiv2011

A Bhatnagar-Gross-Krook-like Model Kinetic Equation for a Granular Gas of Inelastic Rough Hard Spheres

The Boltzmann collision operator for a dilute granular gas of inelastic rough hard spheres is much more intricate than its counterpart for inelastic smooth spheres. Now the one-body distribution function depends not only on the translational velocity of the center of mass but also on the angular velocity of the particle. Moreover, the collision rules couple both velocities, involving not only the coefficient of normal restitution but also the coefficient of tangential restitution. The aim of this paper is to propose an extension to inelastic rough particles of a Bhatnagar-Gross-Krook-like kinetic model previously proposed for inelastic smooth particles. The Boltzmann collision operator is replaced by the sum of three terms representing: (i) the relaxation to a two-temperature local equilibrium distribution, (ii) the action of a nonconservative drag force proportional to the peculiar velocity, and (iii) the action of a nonconservative torque equal to a linear combination of the angular velocity and its mean value. The three coefficients in the force and torque are fixed to reproduce the Boltzmann collisional rates of change of the mean angular velocity and of the two granular temperatures (translational and rotational). A simpler version of the model is also constructed in the form of two coupled kinetic equations for the translational and rotational velocity distributions. The kinetic model is applied to the simple shear flow steady state and the combined influence of the two coefficients of restitution on the shear and normal stresses and on the translational velocity distribution function is analyzed.

cond-mat.soft↗
arXiv2011

Sonine approximation for collisional moments of granular gases of inelastic rough spheres

We consider a dilute granular gas of hard spheres colliding inelastically with coefficients of normal and tangential restitution $α$ and $β$, respectively. The basic quantities characterizing the distribution function $f(\mathbf{v},\bmω)$ of linear ($\mathbf{v}$) and angular ($\bmω$) velocities are the second-degree moments defining the translational ($T^\text{tr}$) and rotational ($T^\text{rot}$) temperatures. The deviation of $f$ from the Maxwellian distribution parameterized by $T^\text{tr}$ and $T^\text{rot}$ can be measured by the cumulants associated with the fourth-degree velocity moments. The main objective of this paper is the evaluation of the collisional rates of change of these second- and fourth-degree moments by means of a Sonine approximation. The results are subsequently applied to the computation of the temperature ratio $T^\text{rot}/T^\text{tr}$ and the cumulants of two paradigmatic states: the homogeneous cooling state and the homogeneous steady state driven by a white-noise stochastic thermostat. It is found in both cases that the Maxwellian approximation for the temperature ratio does not deviate much from the Sonine prediction. On the other hand, non-Maxwellian properties measured by the cumulants cannot be ignored, especially in the homogeneous cooling state for medium and small roughness. In that state, moreover, the cumulant directly related to the translational velocity differs in the quasi-smooth limit $β\to -1$ from that of pure smooth spheres ($β=-1$). This singular behavior is directly related to the unsteady character of the homogeneous cooling state and thus it is absent in the stochastic thermostat case.

cond-mat.soft↗
arXiv2011

On the relation between virial coefficients and the close-packing of hard disks and hard spheres

The question of whether the known virial coefficients are enough to determine the packing fraction $η_\infty$ at which the fluid equation of state of a hard-sphere fluid diverges is addressed. It is found that the information derived from the direct Padé approximants to the compressibility factor constructed with the virial coefficients is inconclusive. An alternative approach is proposed which makes use of the same virial coefficients and of the equation of state in a form where the packing fraction is explicitly given as a function of the pressure. The results of this approach both for hard-disk and hard-sphere fluids, which can straightforwardly accommodate higher virial coefficients when available, lends support to the conjecture that $η_\infty$ is equal to the maximum packing fraction corresponding to an ordered crystalline structure.

cond-mat.stat-mech↗
arXiv2011

Class of dilute granular Couette flows with uniform heat flux

In a recent paper [F. Vega Reyes et al., Phys. Rev. Lett. 104, 028001 (2010)] we presented a preliminary description of a special class of steady Couette flows in dilute granular gases. In all flows of this class the viscous heating is exactly balanced by inelastic cooling. This yields a uniform heat flux and a linear relationship between the local temperature and flow velocity. The class (referred to as the LTu class) includes the Fourier flow of ordinary gases and the simple shear flow of granular gases as special cases. In the present paper we provide further support for this class of Couette flows by following four different routes, two of them being theoretical (Grad's moment method of the Boltzmann equation and exact solution of a kinetic model) and the other two being computational (molecular dynamics and Monte Carlo simulations of the Boltzmann equation). Comparison between theory and simulations shows a very good agreement for the non-Newtonian rheological properties, even for quite strong inelasticity, and a good agreement for the heat flux coefficients in the case of Grad's method, the agreement being only qualitative in the case of the kinetic model.

cond-mat.soft↗
arXiv2011

Multicomponent fluids of hard hyperspheres in odd dimensions

Mixtures of hard hyperspheres in odd space dimensionalities are studied with an analytical approximation method. This technique is based on the so-called Rational Function Approximation and provides a procedure for evaluating equations of state, structure factors, radial distribution functions, and direct correlations functions of additive mixtures of hard hyperspheres with any number of components and in arbitrary odd-dimension space. The method gives the exact solution of the Ornstein--Zernike equation coupled with the Percus--Yevick closure, thus extending to arbitrary odd dimension the solution for hard-sphere mixtures [J. L. Lebowitz, Phys.\ Rev.\ \textbf{133}, 895 (1964)]. Explicit evaluations for binary mixtures in five dimensions are performed. The results are compared with computer simulations and a good agreement is found.

cond-mat.soft↗
arXiv2011

Non-Newtonian Couette-Poiseuille flow of a dilute gas

The steady state of a dilute gas enclosed between two infinite parallel plates in relative motion and under the action of a uniform body force parallel to the plates is considered. The Bhatnagar-Gross-Krook model kinetic equation is analytically solved for this Couette-Poiseuille flow to first order in the force and for arbitrary values of the Knudsen number associated with the shear rate. This allows us to investigate the influence of the external force on the non-Newtonian properties of the Couette flow. Moreover, the Couette-Poiseuille flow is analyzed when the shear-rate Knudsen number and the scaled force are of the same order and terms up to second order are retained. In this way, the transition from the bimodal temperature profile characteristic of the pure force-driven Poiseuille flow to the parabolic profile characteristic of the pure Couette flow through several intermediate stages in the Couette-Poiseuille flow are described. A critical comparison with the Navier-Stokes solution of the problem is carried out.

cond-mat.stat-mech↗
arXiv2010

Molecular dynamics simulation study of self-diffusion for penetrable-sphere model fluids

Molecular dynamics simulations are carried out to investigate the diffusion behavior of penetrable-sphere model fluids characterized by a finite energy barrier $ε$. The self-diffusion coefficient is evaluated from the time-dependent velocity autocorrelation function and mean-square displacement. Detailed insights into the cluster formation for penetrable spheres are gained from the Enskog factor, the effective particle volume fraction, the mean free path, and the collision frequency for both the soft-type penetrable and the hard-type reflective collisions. The simulation data are compared to theoretical predictions from the Boltzmann kinetic equation and from a simple extension to finite $ε$ of the Enskog prediction for impenetrable hard spheres ($ε\to\infty$). A reasonable agreement between theoretical and simulation results is found in the cases of $ε^*\equiv ε/k_BT=0.2$, $0.5$, and $1.0$. However, for dense systems (packing fraction $ϕ>0.6$) with a highly repulsive energy barrier ($ε^*=3.0$), a poorer agreement was observed due to metastable static effects of clustering formation and dynamic effects of correlated collision processes among these cluster-forming particles.

cond-mat.soft↗
arXiv2010

Energy production rates in fluid mixtures of inelastic rough hard spheres

The aim of this work is to explore the combined effect of polydispersity and roughness on the partial energy production rates and on the total cooling rate of a granular fluid mixture. We consider a mixture of inelastic rough hard spheres of different number densities, masses, diameters, moments of inertia, and mutual coefficients of normal and tangential restitution. Starting from the first equation of the BBGKY hierarchy, the collisional energy production rates associated with the translational and rotational temperatures ($T_i^\text{tr}$ and $T_i^\text{rot}$) are expressed in terms of two-body average values. Next, those average values are estimated by assuming a velocity distribution function based on maximum-entropy arguments, allowing us to express the energy production rates and the total cooling rate in terms of the partial temperatures and the parameters of the mixture. Finally, the results are applied to the homogeneous cooling state of a binary mixture and the influence of inelasticity and roughness on the temperature ratios $T_1^\text{tr}/T_1^\text{rot}$, $T_2^\text{tr}/T_1^\text{tr}$, and $T_2^\text{rot}/T_1^\text{rot}$ is analyzed.

cond-mat.soft↗
arXiv2010

An exact solution of the inelastic Boltzmann equation for the Couette flow with uniform heat flux

In the steady Couette flow of a granular gas the sign of the heat flux gradient is governed by the competition between viscous heating and inelastic cooling. We show from the Boltzmann equation for inelastic Maxwell particles that a special class of states exists where the viscous heating and the inelastic cooling exactly compensate each other at every point, resulting in a uniform heat flux. In this state the (reduced) shear rate is enslaved to the coefficient of restitution $α$, so that the only free parameter is the (reduced) thermal gradient $ε$. It turns out that the reduced moments of order $k$ are polynomials of degree $k-2$ in $ε$, with coefficients that are nonlinear functions of $α$. In particular, the rheological properties ($k=2$) are independent of $ε$ and coincide exactly with those of the simple shear flow. The heat flux ($k=3$) is linear in the thermal gradient (generalized Fourier's law), but with an effective thermal conductivity differing from the Navier--Stokes one. In addition, a heat flux component parallel to the flow velocity and normal to the thermal gradient exists. The theoretical predictions are validated by comparison with direct Monte Carlo simulations for the same model.

cond-mat.stat-mech↗
arXiv2010

Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures

Different theoretical approaches for the thermodynamic properties and the equation of state for multicomponent mixtures of nonadditive hard spheres in $d$ dimensions are presented in a unified way. These include the theory by Hamad, our previous formulation, the original MIX1 theory, a recently proposed modified MIX1 theory, as well as a nonlinear extension of the MIX1 theory proposed in this paper. Explicit expressions for the compressibility factor, Helmholtz free energy, and second, third, and fourth virial coefficients are provided. A comparison is carried out with recent Monte Carlo data for the virial coefficients of asymmetric mixtures and with available simulation data for the compressibility factor, the critical consolute point, and the liquid-liquid coexistence curves. The merits and limitations of each theory are pointed out.

cond-mat.soft↗
arXiv2010

Simple relationship between the virial-route hypernetted-chain and the compressibility-route Percus--Yevick values of the fourth virial coefficient

As is well known, approximate integral equations for liquids, such as the hypernetted chain (HNC) and Percus--Yevick (PY) theories, are in general thermodynamically inconsistent in the sense that the macroscopic properties obtained from the spatial correlation functions depend on the route followed. In particular, the values of the fourth virial coefficient $B_4$ predicted by the HNC and PY approximations via the virial route differ from those obtained via the compressibility route. Despite this, it is shown in this paper that the value of $B_4$ obtained from the virial route in the HNC theory is exactly three halves the value obtained from the compressibility route in the PY theory, irrespective of the interaction potential (whether isotropic or not), the number of components, and the dimensionality of the system. This simple relationship is confirmed in one-component systems by analytical results for the one-dimensional penetrable-square-well model and the three-dimensional penetrable-sphere model, as well as by numerical results for the one-dimensional Lennard--Jones model, the one-dimensional Gaussian core model, and the three-dimensional square-well model.

cond-mat.stat-mech↗
arXiv2010

Non-Newtonian granular hydrodynamics. What do the inelastic simple shear flow and the elastic Fourier flow have in common?

We describe a special class of steady Couette flows in dilute granular gases admitting a non-Newtonian hydrodynamic description for strong dissipation. The class occurs when viscous heating exactly balances inelastic cooling, resulting in a uniform heat flux. It includes the Fourier flow of ordinary gases and the simple or uniform shear flow (USF) of granular gases as special cases. The rheological functions have the same values as in the USF and generalized thermal conductivity coefficients can be identified. These points are confirmed by molecular dynamics simulations, Monte Carlo simulations of the Boltzmann equation, and analytical results from Grad's 13-moment method.

cond-mat.soft↗