Kinetic theory of nonlinear viscous flow in two and three dimensions

On the basis of a nonlinear kinetic equation for a moderately dense system of hard spheres and disks it is shown that shear and normal stresses in a steady-state, uniform shear flow contain singular contributions of the form ¦X¦^3/2 for hard spheres, or ¦X¦ log ¦X¦ for hard disks. HereX is proportional to the velocity gradient in the shear flow. The origin of these terms is closely related to the hydrodynamic tails t^–d/2 in the current-current correlation functions. These results also imply that a nonlinear shear viscosity exists in two-dimensional systems. An extensive discussion is given on the range ofX values where the present theory can be applied, and numerical estimates of the effects are given for typical circumstances in laboratory and computer experiments.Supported by National Science Foundation grant No. CHE-73-08856 (to HvB, JRD, and JS) and the Center for Theoretical Physics of the Univ. of Md. (to HvB).On leave from Institute of Theoretical Physics, Warsaw University, Warsaw, Poland.     

Shear viscosity of pseudo hard-spheres

We present molecular dynamics simulations of pseudo hard sphere fluid (generalized WCA potential with exponents (50, 49) proposed by Jover et al. [J. Chem. Phys 137, (2012)] using GROMACS package. The equation of state and radial distribution functions at contact are obtained from simulations and compared to the available theory of true hard spheres (HS) and available data on pseudo hard spheres. The comparison shows agreements with data by Jover et al. and the Carnahan–Starling equation of HS. The shear viscosity is obtained from the simulations and compared to the Enskog expression and previous HS simulations. It is demonstrated that the PHS potential reproduces the HS shear viscosity accurately.     

Lorentz gas shear viscosity via nonequilibrium molecular dynamics and Boltzmann's equation

When nonequilibrium molecular dynamics is used to impose isothermal shear on a two-body periodic system of hard disks or spheres, the equations of motion reduce to those describing a Lorentz gas under shear. In this shearing Lorentz gas a single particle moves, isothermally, through a spatially periodic shearing crystal of infinitely massive scatterers. The curvilinear trajectories are calculated analytically and used to measure the dilute Lorentz gas viscosity at several strain rates. Simulations and solutions of Boltzmann's equation exhibit shear thinning resembling that found inN-body nonequilibrium simulations. For the three-dimensional Lorentz gas we obtained an exact expression for the viscosity which is valid at all strain rates. In two dimensions this is not possible due to the anisotropy of the scattering.     

A systematic derivation of exact generalized Brownian motion theory

We present here a simple unified derivation of the exact Fokker-Planck equation obtained earlier by Zwanzig and the exact Langevin and transport equations derived by Mori. The derivation, based on the use of a Hilbert space formulation of the dynamics, leads to substantial generalizations of these results in a straightforward manner. We obtain nonlinear Langevin equations for classical systems and discuss the extension of the theory to driven transport and to quantum dynamics based either on the use of density matrices or Γ-space densities as suggested by Wigner. Remaining limitations of the theory are pointed out.     

Nonlinear conductivity and entropy in the two-body Boltzmann gas

We find exact solutions of the two-particle Boltzmann equation for hard disks and hard spheres diffusing isothermally in an external field. The corresponding transport coefficient, one-particle current divided by field strength, decreases as the field increases. This nonlinear dependence of the current on the field and the corresponding nonlinear dependence of the distribution function on the current are compared to the predictions of single-time information theory. Our exact steady-state distribution function, from Boltzmann's equation, is quite different from the approximate information-theory analog. The approximate theory badly underestimates the nonlinear decrease of entropy with current. The exact two-particle solutions we find here should prove useful in testing and improving theories of steady-state and transient distribution functions far from equilibrium.     

On the theory of fluctuations around non-equilibrium steady states: A generalized time-convolutionless projector formalism

A new method of finding nonlinear Langevin type equations of motion for relevant macrovariables and the corresponding master equation for systems far from thermal equilibrium is presented by generalizing the time-convolutionless formalism proposed previously for equilibrium hamiltoian systems by Tokuyama and Mori. The Langevin type equation consists of a fluctuating force, and the nonlinear drift coefficients which are always identical to those of the master equation. A simple formula which relates the drift coefficients to the time correlation of the fluctuating forces is derived. This is a generalization of the fluctuation-dissipation theorem of the second kind in equilibrium systems and is valid not only for transport phenomena due to internal fluctuations but also for transport phenomena due to externally-driven fluctuations. A new cumulant expansion of the master equation is also obtained. The conditions under which a Langevin and a Fokker-Planck equation of a generalized type for non-equilibrium open systems can be derived are clarified.The theory is illustrated by studying hydrodynamic fluctuations near the Rayleigh-Bénard instability. The effects of two kinds of fluctuations, internal fluctuations of irrelevant macrovariables and external (thermal) noises, on the convective instability are investigated. A stochastic Ginzburg-Landau type equation for the order parameter and the corresponding nonlinear Fokker-Planck equation are derived.     

Navier–Stokes Transport Coefficients of <Emphasis Type="Italic">d</Emphasis>-Dimensional Granular Binary Mixtures at Low Density

The Navier–Stokes transport coefficients for binary mixtures of smooth inelastic hard disks or spheres under gravity are determined from the Boltzmann kinetic theory by application of the Chapman–Enskog method for states near the local homogeneous cooling state. It is shown that the Navier–Stokes transport coefficients are not affected by the presence of gravity. As in the elastic case, the transport coefficients of the mixture verify a set of coupled linear integral equations that are approximately solved by using the leading terms in a Sonine polynomial expansion. The results reported here extend previous calculations (Garzó, V., Dufty, J.W. in Phys. Fluids 14:1476–1490, 2002) to an arbitrary number of dimensions and provide explicit expressions for the seven Navier–Stokes transport coefficients in terms of the coefficients of restitution and the masses, composition, and sizes of the constituents of the mixture. In addition, to check the accuracy of our theory, the inelastic Boltzmann equation is also numerically solved by means of the direct simulation Monte Carlo method to evaluate the diffusion and shear viscosity coefficients for hard disks. The comparison shows a good agreement over a wide range of values of the coefficients of restitution and the parameters of the mixture (masses and sizes).     

Modified cell theory: Free volume distributions and the equation of state for D-dimensional hard sphere systems

A generalized cell model, using cells of different sizes, is applied to hard rods, disks and spheres. Structures is discussed in terms of free volumes. The derived equation of state is exact for rods. For disks and spheres it provides a good approximation in the dense fluid and solid state.     

Strategies for fluctuation renormalization in nonlinear transport theory

We are concerned here with the problems encountered in the derivation of nonlinear transport equations from a correspondingly nonlinear Langevin equation. A dynamical coupling between the time-dependent averages and the fluctuations must be accounted for by a procedure which leads to a renormalization of the nonlinear transport equation. Generalizing the familiar phenomenological approach to Brownian motion to nonlinear dynamics, we illustrate how the problem arises and show how the fluctuation renormalization can be obtained exactly by a formal procedure or approximately by more tractable methods.     

A statistical-mechanical theory of self-diffusion in colloidal suspensions — application to colloidal glass transitions

A statistical-mechanical theory of self-diffusion in colloidal suspensions is presented. A renormalized linear Langevin equation is derived from a nonlinear Langevin equation by employing the Tokuyama–Mori projection operator method. The friction constant is thus shown to be renormalized by the many-body correlation effects due to not only the direct interactions between particles, but also due to the hydrodynamic interactions between particles. The equations for the mean-square displacement and the non-Gaussian parameter are then derived. The present theory is applied to colloidal glass transitions to discuss the crossover phenomena in the dynamics of a single particle from a short-time self-diffusion process to a long-time self-diffusion process via a β (caging) stage. The effects of the renormalized friction coefficient on self-diffusion are thus explored with the aid of the analyses of the experimental data and the simulation results by the mean-field theory proposed by the present author. It is thus shown that the relaxation time of the renormalized memory function is given by the β-relaxation time. It is also shown that the non-Gaussian parameter is very small, even near the glass transition, because of the existence of the short-time self-diffusion coefficient caused by the hydrodynamic interactions.     

Nonlinear dielectric effect of dipolar fluid mixtures

The linear and nonlinear dielectric effect for two- and three-component dipolar fluid mixtures are studied within the framework of the mean spherical approximation (MSA) of dipolar hard sphere mixtures. In our approach, equally sized dipolar hard spheres with different dipole moments are considered. Based on earlier results for the electric field dependence of the polarization our analytical equations show the so-called normal saturation effects, which are in good agreement with corresponding canonical ensemble Monte Carlo simulation data. Comparisons between the MSA based theoretical results and the corresponding Langevin and Debye-Weiss theories are also made.     

Towards a Landau–Ginzburg-Type Theory for Granular Fluids

In this paper we show how, under certain restrictions, the hydrodynamic equations for the freely evolving granular fluid fit within the framework of the time dependent Landau–Ginzburg (LG) models for critical and unstable fluids. The granular fluid, which is usually modeled as a fluid of inelastic hard spheres (IHS), exhibits two instabilities: the spontaneous formation of vortices and of high density clusters. We suppress the clustering instability by imposing constraints on the system sizes, in order to illustrate how LG-equations can be derived for the order parameter, being the rate of deformation or shear rate tensor, which controls the formation of vortex patterns. From the shape of the energy functional we obtain the stationary patterns in the flow field. Quantitative predictions of this theory for the stationary states agree well with molecular dynamics simulations of a fluid of inelastic hard disks.     

Dissipative dynamics for hard spheres

The dynamics for a system of hard spheres with dissipative collisions is described at the levels of statistical mechanics, kinetic theory, and simulation. The Liouville operator(s) and associated binary scattering operators are defined as the generators for time evolution in phase space. The BBGKY hierarchy for reduced distribution functions is given, and an approximate kinetic equation is obtained that extends the revised Enskog theory to dissipative dynamics. A Monte Carlo simulation method to solve this equation is described, extending the Bird method to the dense, dissipative hard-sphere system. A practical kinetic model for theoretical analysis of this equation also is proposed. As an illustration of these results, the kinetic theory and the Monte Carlo simulations are applied to the homogeneous cooling state of rapid granular flow.     

Ergodic Properties of the Non-Markovian Langevin Equation

We discuss the dissipative dynamics of a classical particle coupled to an infinitely extended heat reservoir. We announce a number of results concerning the ergodic properties of this model. The novelty of our approach is that it extends beyond Markovian dynamics to the case where the Langevin equation is driven by colored noise. Our method works in arbitrary space dimension, and for fully nonlinear systems.     

Microdynamics and nonlinear stochastic processes of gross variables

Starting from classical Hamiltonian mechanics, we derive for the dynamics of gross variables in nonequilibrium systems exact nonlinear generalized Fokker-Planck and Langevin equations in which the effect of the initial preparation is taken into account explicitly. This latter concept allows for the construction of a uniquely determined projection operator. The memory functions occurring in the Langevin equations are related to the random forces by a fluctuation-dissipation theorem of the second kind. We discuss the connection with the generalized Fokker-Planck equation. The known results for equilibrium fluctuations are recovered as a special case.Supported in part by the National Science Foundation, Grant CHE78-21460.     

Nonlinear momentum relaxation of an impurity in a harmonic chain

A microscopic derivation of the generalized Langevin equation for arbitrary powers of the momentum of an impurity in a harmonic chain is presented. As a direct consequence of the Gaussian character of the conditional momentum distribution function, nonlinear momentum coupling effects are absent for this system and the Langevin equation takes on a particularly simple form. The kernels which characterize the decay of higher powers of the impurity momentum depend on the ratio of the masses of the impurity and bath particles, in contrast to the situation for the momentum Langevin equation for this system. The simplicity of the harmonic chain dynamics is exploited in order to investigate several features of the relaxation, such as the factorization approximation for time-dependent correlation functions and the decay of the kinetic energy autocorrelation function.     

On the derivation of the generalized Langevin equation for interacting Brownian particles

The main result of this paper is a derivation of a generalized nonlinear Langevin equation (GLE) forn interacting particles in a bath. A consequence of the derivation is that the exact form of the (generalized) fluctuation-dissipation theorem is obtained. We discuss also the relation between the memory kernel of the GLE and some corresponding correlation functions which can be easily obtained in a molecular dynamics computer experiment. In the same spirit it is shown that the approach applies to a Brownian particle subjected to a stationary external field. The technique presented in a previous paper to simulate generalized Brownian dynamics can be easily extended to the present case. Our derivation intends to clarify the uses and (possibly) abuses of the Langevin equation in Brownian dynamics studies.