Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is construction of the c
orresponding functionals for non-interacting particles in an arbitrary external potential. That problem is posed here in the context of the equilibrium statistical mechanics of an inhomogeneous system. The density functionals are defined and shown to be equal to the extremal state for a functional of the reduced one-particle statistical operators. Convexity of the latter functionals implies a class of general inequalities. First, it is shown that the familiar von Weizsacker lower bound for zero temperature functionals applies at finite temperature as well. An upper bound is obtained in terms of a single-particle statistical operator corresponding to the Thomas-Fermi approximation. Next, the behavior of the density functionals under coordinate scaling is obtained. The inequalities are exploited to obtain a class of upper and lower bounds at constant temperature, and a complementary class at constant density. The utility of such constraints and their relationship to corresponding results at zero temperature are discussed.
The response of an isolated granular fluid to small perturbations of the hydrodynamic fields is considered. The corresponding linear response functions are identified in terms of a formal solution to the Liouville equation including the effects of th
e cooling reference state. These functions are evaluated exactly in the asymptotic long wavelength limit and shown to represent hydrodynamic modes. More generally, the linear granular Navier-Stokes equations for the response functions and related Langevin equations are obtained from an extension of Moris identity. The resulting Green-Kubo expressions for transport coefficients are compared and contrasted with those for a molecular fluid. Next the response functions are described in terms of an effective dynamics in the single particle phase space. A closed linear kinetic equation is obtained formally in terms of a linear two particle functional. This closure is evaluated for two examples: a short time Markovian approximation, and a low density expansion on length and time scales of the mean free time and mean free path. The former is a generalization of the revised Enskog kinetic theory to include velocity correlations. The latter is an extension of the Boltzmann equation to include the effects of recollisions (rings) among the particles.
The terminology granular matter refers to systems with a large number of hard objects (grains) of mesoscopic size ranging from millimeters to meters. Geological examples include desert sand and the rocks of a landslide. But the scope of such systems
is much broader, including powders and snow, edible products such a seeds and salt, medical products like pills, and extraterrestrial systems such as the surface regolith of Mars and the rings of Saturn. The importance of a fundamental understanding for granular matter properties can hardly be overestimated. Practical issues of current concern range from disaster mitigation of avalanches and explosions of grain silos to immense economic consequences within the pharmaceutical industry. In addition, they are of academic and conceptual importance as well as examples of systems far from equilibrium. Under many conditions of interest, granular matter flows like a normal fluid. In the latter case such flows are accurately described by the equations of hydrodynamics. Attention is focused here on the possibility for a corresponding hydrodynamic description of granular flows. The tools of nonequilibrium statistical mechanics, developed over the past fifty years for fluids composed of atoms and molecules, are applied here to a system of grains for a fundamental approach to both qualitative questions and practical quantitative predictions. The nonlinear Navier-Stokes equations and expressions for the associated transport coefficients are obtained.
Granular fluids consist of collections of activated mesoscopic or macroscopic particles (e.g., powders or grains) whose flows often appear similar to those of normal fluids. To explore the qualitative and quantitative description of these flows an id
ealized model for such fluids, a system of smooth inelastic hard spheres, is considered. The single feature distinguishing granular and normal fluids being explored in this way is the inelasticity of collisions. The dominant differences observed in real granular fluids are indeed captured by this feature. Following a brief introductory description of real granular fluids and motivation for the idealized model, the elements of nonequilibrium statistical mechanics are recalled (observables, states, and their dynamics). Peculiarities of the hard sphere interactions are developed in detail. The exact microscopic balance equations for the number, energy, and momentum densities are derived and their averages described as the origin for a possible macroscopic continuum mechanics description. This formally exact analysis leads to closed, macroscopic hydrodynamic equations through the notion of a normal state. This concept is introduced and the Navier-Stokes constitutive equations are derived, with associated Green-Kubo expressions for the transport coefficients. A parallel description of granular gases is described in the context of kinetic theory, and the Boltzmann limit is identified critically. The construction of the normal solution to the kinetic equation is outlined, and Navier-Stokes order hydrodynamic equations are re-derived for a low density granular gas.
Newton viscosity law for the momentum flux and Fouriers law for the heat flux define Navier-Stokes hydrodynamics for a simple, one component fluid. There is ample evidence that a hydrodynamic description applies as well to a mesoscopic granular fluid
with the same form for Newtons viscosity law. However, theory predicts a qualitative difference for Fouriers law with an additional contribution from density gradients even at uniform temperature. The reasons for the absence of such terms for normal fluids are indicated, and a related microscopic explanation for their existence in granular fluids is presented.
