相关论文: Kinetic Density Functional Theory of Freezing
We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…
The revised Enskog approximation for a fluid of hard spheres which lose energy upon collision is discussed for the case that the energy is lost from the normal component of the velocity at collision but is otherwise arbitrary. Granular…
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…
The goal of this note is to provide most of the technical details involved in the application of the Chapman-Enskog method to solve the revised Enskog equation to Navier-Stokes order. Explicit expressions for the transport coefficients and…
We use the Enskog theory for the description of the self-diffusion coefficient of hard sphere fluids in disordered porous media. Using the scaled particle theory previously developed by us for the description of thermodynamic properties of…
We introduce a new computationally efficient and accurate classical density-functional theory for water and apply it to hydration of hard spheres and inert gas atoms. We find good agreement with molecular dynamics simulations for the…
The hydrodynamic equation governing the homogeneous time evolution of the temperature in a model of confined granular gas is studied by means of the Enskog equation. The existence of a normal solution of the kinetic equation is assumed as a…
The homogeneous state of a binary mixture of smooth inelastic hard disks or spheres is analyzed. The mixture is driven by a thermostat composed by two terms: a stochastic force and a drag force proportional to the particle velocity. The…
The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…
In this paper the relationship between the density functional theory of freezing and phase field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the…
Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…
We propose a density functional for anisotropic fluids of hard body particles. It interpolates between the well-established geometrically based Rosenfeld functional for hard spheres and the Onsager functional for elongated rods. We test the…
The evaluation of hydrodynamic transport coefficients in relativistic field theory, and the emergence of an effective kinetic theory description, is examined. Even in a weakly-coupled scalar field theory, interesting subtleties arise at…
We calculate using molecular dynamics simulations the transport properties of realistically modeled fluid argon at pressures up to $\simeq 50GPa$ and temperatures up to $3000K$. In this context we provide a critique of some newer…
The existence of a weak solution to a McKean-Vlasov type stochastic differential system corresponding to the Enskog equation of the kinetic theory of gases is established under natural conditions. The distribution of any solution to the…
The Enskog kinetic theory for moderately dense inertial suspensions under simple shear flow is considered as a model to analyze the rheological properties of the system. The influence of the background fluid on suspended particles is…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
Despite a long record of intense efforts, the basic mechanisms by which dissipation emerges from the microscopic dynamics of a relativistic fluid still elude a complete understanding. In particular, no unique pathway from kinetic theory to…
Despite decades of intense study, the mechanisms underlying the extraordinary dynamics of supercooled liquids as they approach the glass transition remain, at best, mis-characterized, and at worst, misunderstood. A long standing endeavor is…
Weakly interacting quantum fluids allow for a natural kinetic theory description which takes into account the fermionic or bosonic nature of the interacting particles. In the simplest cases, one arrives at the Boltzmann-Nordheim equations…