Related papers: Self-diffusion coefficient as a function of the th…
The linear response description for impurity diffusion in a granular fluid undergoing homogeneous cooling is developed in the preceeding paper. The formally exact Einstein and Green-Kubo expressions for the self-diffusion coefficient are…
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…
We propose a joint experimental and theoretical approach to measure the self-diffusion in a laser-cooled trapped ion cloud where part of the ions are shelved in a long-lived dark state. The role of the self-diffusion coefficient in the…
By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…
A calculation of the transverse sound velocity as a function of excess entropy is presented for several simple fluids, including the Lennard-Jones, Yukawa, one-component plasma, inverse-power law (soft sphere) and hard sphere models. A…
In this work, a new algorithm is proposed to compute single particle (infinite dilution) thermodiffusion using Non-Equilibrium Molecular Dynamics simulations through the estimation of the thermophoretic force that applies on a solute…
Although an intimate relation between entropy and diffusion has been advocated for many years and even seems to have been verified in theory and experiments, a quantitatively reliable study, and any derivation of an algebraic relation…
A freezing density scaling of transport properties of the Lennard-Jones fluid is rationalized in terms of the Rosenfeld's excess entropy scaling and isomorph theory of Roskilde-simple systems. Then, it is demonstrated that the freezing…
A Lorentz gas may be defined as a system of fixed dispersing scatterers, with a single light particle moving among these and making specular collisions on encounters with the scatterers. For a dilute Lorentz gas with open boundaries in $d$…
A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions. After outlining parallelisms between a neutral superfluid and a charged…
We have carried out extensive molecular dynamics simulations of a supercooled polydisperse Lennard-Jones liquid with large variations in temperature at a fixed pressure. The particles in the system are considered to be polydisperse both in…
We proposed a new extended version of Enskog theory for the description of the self-diffusion coefficient of a colloidal hard-sphere fluid adsorbed in a matrix of disordered hard-sphere obstacles. In a considered approach instead of contact…
A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of…
A thermodynamic framework that predicts the thermal conductivity $\lambda$ of simple fluids beyond the dilute-gas limit is introduced. By generalizing the transition-rate approach of particles on a lattice to conserved quantities in…
We establish a fundamental connection between score-based diffusion models and non-equilibrium thermodynamics by deriving performance limits based on entropy rates. Our main theoretical contribution is a lower bound on the negative…
We introduce a non-equilibrium density-functional theory of local temperature and associated local energy density that is suited for the study of thermoelectric phenomena. The theory rests on a local temperature field coupled to the…
Diffusion of small particles is omnipresent in a plentiful number of processes occurring in Nature. As such, it is widely studied and exerted in almost all branches of sciences. It constitutes such a broad and often rather complex subject…
Most of the existing classical CO$_2$ models fail to reproduce some or many experimental properties such as surface tension, vapor pressure, density and dielectric constant at difference thermodynamic conditions. Therfore, it is proposed a…
The diffusion of a bulk absorbed gas species out of spherical pebbles is studied analytically, stressing the usefulness of the time integral of the diffusion coefficient for analysis of arbitrary temperature schedule experiments. Highly…
Consider a particle diffusing in a confined volume which is divided into two equal regions. In one region the diffusion coefficient is twice the value of the diffusion coefficient in the other region. Will the particle spend equal…