Related papers: Application of Ewald summations to long-range disp…
Evaporation and condensation at a liquid/vapor interface are ubiquitous interphase mass and energy transfer phenomena that are still not well understood. We have carried out large scale molecular dynamics simulations of Lennard-Jones (LJ)…
The behavior of energy polydisperse $2d$ Lennard-Jones fluid (in thin-film geometry) is studied subjected to linear flow field using molecular dynamics simulations. By considering neutral and selective substrates we systematically explore…
We present a rigorous Ewald summation formula to evaluate the electrostatic interactions in two-dimensionally periodic planar interfaces of three-dimensional systems. By rewriting the Fourier part of the summation formula of the original…
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this…
In moderately coupled Yukawa fluids, longitudinal mode dispersion is determined by the competition between kinetic and potential effects. In a recent paper [Khrapak and Cou\"edel, Phys. Rev. E 102, 033207 (2020)], a semi-phenomenological…
The long-range quadrupole-quadrupole ($\sim R^{-5}$) and leading dispersion ($\sim R^{-6}$) interactions between all pairs of excited Hg($6s6p$) $^3P_0$, $^3P_1$, $^3P_2$, and $^1P_1$ atoms are determined. The quadrupole moments are…
We combine experiments in a von K\'arm\'an flow with numerical simulations of Taylor-Green and homogeneous and isotropic turbulence to study the effect of the local flow geometry on particle pair dispersion. To characterize particle…
Using general local conservations laws we derive dispersion relations for edge modes in a slab of electron liquid confined by a symmetric potential. The dispersion relations are exact up to $\lambda^{2} q^{2}$, where $q$ is a wave vector…
In this work, a second-order approximation of the fractional substantial derivative is presented by considering a modified shifted substantial Gr\"{u}nwald formula and its asymptotic expansion. Moreover, the proposed approximation is…
A systematic search for the Lie point symmetries admitted by the steady hydromagnetic two-dimensional incompressible viscous flow boundary layer equation and associated boundary conditions is performed. Unlike previous works, the specific…
Let $v$ be an odd real polynomial (i.e. a polynomial of the form $\sum_{j=1}^\ell a_jx^{2j-1}$). We utilize sets of iterated differences to establish new results about sets of the form $\mathcal…
The wide use of a speed-independent distance as a cut-off impact parameter together with Rutherford's scattering formula, within the cut-off theory, to account for charge screening in plasma environment embodies a clear inconsistency. A new…
We study NaCl ion-pair dissociation in a dilute aqueous solution using computer simulations both for the full system with long range Coulomb interactions and for a well chosen reference system with short range intermolecular interactions.…
We study fluids of hard rods in the vicinity of hard spherical and cylindrical surfaces at densities below the isotropic-nematic transition. The Onsager second virial approximation is applied, which is known to yield exact results for the…
These lectures start with the mean field theory for a symmetric binary fluid mixture, addressing interfacial tension, the stress tensor, and the equations of motion (Model H). We then consider the phase separation kinetics of such a…
We present a new approach to efficiently simulate electrolytes confined between infinite charged walls using a 3d Ewald summation method. The optimal performance is achieved by separating the electrostatic potential produced by the charged…
We study the uniform boundedness of solutions to reaction-diffusion systems possessing a Lyapunov-like function and satisfying an {\it intermediate sum condition}. This significantly generalizes the mass dissipation condition in the…
We derive a $L^1_x (\mathbb R^d)-L^{\infty}_x ( \mathbb R^d)$ decay estimate of order $\mathcal O \left( t^{-d/2}\right)$ for the linear propagators $$\exp \left( {\pm it \sqrt{ |D|\left(1+ \beta |D|^2\right) \tanh |D | } }\right), \qquad…
Large-eddy simulation developments and validations are presented for an improved simulation of turbulent internal flows. Numerical methods are proposed according to two competing criteria: numerical qualities (precision and spectral…
The connection between fundamental interactions acting in molecules in a fluid and macroscopically measured properties, such as the viscosity between colloidal particles coated with polymers, is studied here. The role that hydrodynamic and…