Related papers: Analytical Interaction Potential for Lennard-Jones…
We study a class of one-dimensional classical fluids with penetrable particles interacting through positive, purely repulsive, pair-potentials. Starting from some lower bounds to the total potential energy, we draw results on the…
We present a method for the evaluation of the interaction potential of an equilibrium classical system starting from the (partial) knowledge of its structure factor. The procedure is divided into two phases both of which are based on the…
The effective potential of electron--electron interaction and the two-particle \textquotedblleft density--density\textquotedblright\ correlation function have been calculated for a simple semiinfinite metal making allowance for the…
The structural and thermodynamic properties of fluids whose molecules interact via potentials with a hard-core plus a square well, a square shoulder, and a second square well, are considered. Those properties are derived by using a…
In this paper we discuss the analytical properties of the binary collision integral for a gas of ultrarelativistic particles interacting via a constant cross-section. Starting from a near-equilibrium expansion over a complete basis of…
Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type…
Path-integral approach to the tight-binding polaron is extended to multiple optical phonon modes of arbitrary dispersion and polarization. The non-linear lattice effects are neglected. Only one electron band is considered. The…
Point contacts provide simple connections between macroscopic particle reservoirs. In electric circuits, strong links between metals, semiconductors or superconductors have applications for fundamental condensed-matter physics as well as…
We compare three model-free numerical methods for inverting structural data to obtain interaction potentials, namely iterative Boltzmann inversion (IBI), test-particle insertion (TPI), and a machine-learning (ML) approach called ActiveNet.…
Kondo physics in nonequilibrium interacting nanoscale devices is an attractive fundamental many-particle phenomenon with a rich potential for applications. Due to enormous complexity its clear and flexible theory is still highly desirable.…
A simple analytical expression, which closely approximates the Coulomb potential between two uniformly charged spheres, is presented. This expression can be used in the optical potential semiclassical analyses which require that the…
Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the…
The motion of a thin elastic plate interacting with a viscous fluid is investigated. A periodic force acting on the plate is considered, which in a setting without damping could lead to a resonant response. The interaction with the viscous…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
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…
We formulate statistical-mechanical inverse methods in order to determine optimized interparticle interactions that spontaneously produce target many-particle configurations. Motivated by advances that give experimentalists greater and…
This work presents a concise theoretical and computational framework for the finite element formulation of frictional contact problems with arbitrarily large deformation and sliding. The aim of this work is to extend the contact theory…
We consider the interaction between two rods embedded in a fluctuating surface. The modification of fluctuations by the rods leads to an attractive long-range interaction between them. We consider fluctuations governed by either surface…
We present a new analysis framework called "Correlation Analysis Tool using the Schr\"odinger equation" (CATS) which computes the two-particle femtoscopy correlation function $C(k)$, with $k$ being the relative momentum for the particle…
Correlation of interacting particles is studied in their dynamics and localization in ideal and disordered lattice systems with the help of numerical tools. Both 1D and 2D systems are considered. In 1D lattices with long-range hopping,…