Related papers: Effective Potential Theory for Diffusion in Binary…
We study the diffusion process in binary mixtures using transition probabilities that depend on a mean-field potential. This approach reproduces the Darken equation, a relationship between the intrinsic and the tracer diffusion…
We investigate the construction of approximated exchange-correlation functionals by interpolating locally along the adiabatic connection between the weak- and the strong-coupling regimes, focussing on the effect of using approximate…
We calculate the self diffusion coefficients $D_S$ for the species $s=1,2$ of a mixture, and show that a general scaling relation $D_2{\sim}D_1^a$ with a non universal exponent $a$ holds. The generalized diffusion coefficients, dependent on…
Complex continuous or mixed joint distributions (e.g., P(Y | z_1, z_2, ..., z_N)) generally lack closed-form solutions, often necessitating approximations such as MCMC. This paper proposes Indeterminate Probability Theory (IPT), which makes…
The propagation of electrostatic waves in an unmagnetized collisionless pair-ion plasma with immobile positively charged dusts is studied for both large- and small-amplitude perturbations. Using a two-fluid model for pair-ions, it is shown…
Effective potentials are an essential ingredient of classical molecular dynamics (MD) simulations. Little is understood of the consequences of representing the complex energy landscape of an atomic configuration by an effective potential or…
Eigen-channel approach to heavy-ion fusion reactions is exact only when the excitation energy of the intrinsic motion is zero. In order to take into account effects of finite excitation energy, we introduce an energy dependence to weight…
Effective field theories (EFT) parameterize the long-distance effects of short-distance dynamics whose details may or may not be known. It is known that EFT coefficients must obey certain positivity constraints if causality and unitarity…
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…
We derive a distribution function for the position of a tagged active particle in a slowly varying in space external potential, in a system of interacting active particles. The tagged particle distribution has the form of the Boltzmann…
At the Institute for Thermodynamics and Thermal Process Engineering (ITT) about 100 molecular models for pure substances have been developed so far. These models reproduce vapor pressure, saturated liquid density, and enthalpy of…
We develop a series of propensity rules for interpreting Inelastic Electron Tunneling (IET) spectra of single-molecule transport junctions. IETS has no selection rules, such as those seen in optical, infrared and Raman spectra, because IETS…
The method of effective field theories (EFTs) is developed for the scattering of two particles at wavelengths which are large compared to the range of their interaction. It is shown that the renormalized EFT is equivalent to the effective…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
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 exact exchange potential in time-dependent density-functional theory is defined as an orbital functional through the time-dependent optimized effective potential (TDOEP) method. We numerically solve the TDOEP integral equation for the…
We present molecular dynamics simulation results for the viscosity and mutual diffusion constant of a strongly asymmetric binary ionic mixture (BIM). We compare the results with available theoretical models previously tested for much…
In the work, a modified effective medium theory is constructed for calculating the effective properties of thermoelectric composites with different values of percolation thresholds. It is shown that even at concentrations beyond the…
We present a determination of optical potentials using the double-folding method based on chiral effective field theory nucleon-nucleon interactions at next-to-next-to-leading order combined with dispersion relations to constrain the…
The Poisson-Boltzmann approach gives asymptotically exact counter-ion density profiles around charged objects in the weak-coupling limit of low valency and high temperature. In this paper we derive, using field-theoretic methods, a theory…