Related papers: Calculations of the Energy Accommodation Coefficie…
While first-principles calculations of electrode-molecule binding play an indispensable role in obtaining atomic-level understanding in surface science and electrochemistry, a significant challenge remains because the adsorption energy is…
By using the recently generalized version of Newton Shell Theorem analytical equations are derived to calculate the electric interaction energy between two separated charged spheres surrounded outside and inside by electrolyte. This…
A generalized physics-based expression for the drag coefficient of spherical particles moving in a fluid is derived. The proposed correlation incorporates essential rarefied physics, low-speed hydrodynamics, and shock-wave physics to…
We investigate the interaction effect between atoms and the finite size effect of a Bose-Einstein gas at finite temperature. Using a mean field approach, we derive the thermodynamic potential on finite systems and obtain the condensate…
It is an well established fact that statistical properties of energy level spectra are the most efficient tool to characterize nonintegrable quantum systems. The study of statistical properties and spectral fluctuation in the interacting…
We report a numerical study of thermo-osmotic slip, i.e. the particle flux induced by a thermal gradient along a solid-fluid interface. To facilitate comparison with theory, we consider a model of an ideal but viscous gas. We compare three…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
We study heat transport in a class of stochastic energy exchange systems that characterize the interactions of networks of locally trapped hard spheres under the assumption that neighbouring particles undergo rare binary collisions. Our…
Quantum effects in statistical mechanics are important when the thermal wavelength is of the order of, or greater than, the mean interatomic spacing. This is examined at depth taking the example of a hard-sphere Boltzmann gas. Using the…
We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small…
We derive a particle number-conserving rate equation for the ground state and for the elementary excitations of a bosonic system which is in contact with a gas of a different species (sympathetic cooling). We use the Giradeau-Arnowitt…
Molecular dynamics simulations provide a versatile framework to study interfacial heat transport, but their accuracy remains limited by the accuracy of available interatomic potentials. In the past, researchers have adopted the use of…
This note summarizes recent results in which modern techniques of the calculus of variations are used to obtain qualitative features of film-substrate interfaces for a broad class of interfacial energies. In particular, we show that the…
Sub-continuum gas conduction is an essentially important phenomenon in disparate fields of applications ranging from aerospace vehicles to biomedical sensors, and has been the focus of many computational studies over the past decades. These…
Heating of trapped ion clouds by interactions with free electrons crossing the trapping potential was observed. A model describing such process was proposed and discussed. The presented approach predicts two effects: pushing and heating of…
We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…
Classical fields approximation to cold weakly interacting bosons allows for a unified treatment of condensed and uncondensed parts of the system. Until now, however, the quantitative predictions were limited by a dependence of the results…
Richardson equations can be mapped on the classical electrostatic problem in two dimensions. We have recently suggested a new analytical approach to these equations in the thermodynamical limit, which is based on the `probability' of the…
A combination of first principle molecular dynamics (MD) simulations with a rate equation model (MD-RE approach) is presented to study the trapping and the scattering of rare gas atoms from metal surfaces. The temporal evolution of the atom…
AdS/CFT correspondence is now widely used for study of strongly coupled plasmas, such as produced in ultrarelativistic heavy ion collisions at RHIC. While properties of equilibrated plasma and small deviations from equilibrium are by now…