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Title: Ewald sums for Yukawa potentials in quasi-two-dimensional systems

Abstract

In this article, the author derive Ewald sums for Yukawa potential for three-dimensional systems with two-dimensional periodicity. This sums are derived from the Ewald sums for Yukawa potentials with three-dimensional periodicity [G. Salin and J.-M. Caillol, J. Chem. Phys.113, 10459 (2000)] by using the method proposed by Parry for the Coulomb interactions [D. E. Parry, Surf. Sci.49, 433 (1975); 54, 195 (1976)].

Authors:
 [1]
  1. Laboratoire de Physique Theorique (UMR 8627), Universite de Paris XI, Batiment 210, 91405 Orsay Cedex (France)
Publication Date:
OSTI Identifier:
20991217
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 126; Journal Issue: 5; Other Information: DOI: 10.1063/1.2431371; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY; DIELECTRIC PROPERTIES; FUNCTIONS; PERIODICITY; PLASMA SIMULATION; POTENTIAL ENERGY; TWO-DIMENSIONAL CALCULATIONS; YUKAWA POTENTIAL

Citation Formats

Mazars, Martial. Ewald sums for Yukawa potentials in quasi-two-dimensional systems. United States: N. p., 2007. Web. doi:10.1063/1.2431371.
Mazars, Martial. Ewald sums for Yukawa potentials in quasi-two-dimensional systems. United States. doi:10.1063/1.2431371.
Mazars, Martial. Wed . "Ewald sums for Yukawa potentials in quasi-two-dimensional systems". United States. doi:10.1063/1.2431371.
@article{osti_20991217,
title = {Ewald sums for Yukawa potentials in quasi-two-dimensional systems},
author = {Mazars, Martial},
abstractNote = {In this article, the author derive Ewald sums for Yukawa potential for three-dimensional systems with two-dimensional periodicity. This sums are derived from the Ewald sums for Yukawa potentials with three-dimensional periodicity [G. Salin and J.-M. Caillol, J. Chem. Phys.113, 10459 (2000)] by using the method proposed by Parry for the Coulomb interactions [D. E. Parry, Surf. Sci.49, 433 (1975); 54, 195 (1976)].},
doi = {10.1063/1.2431371},
journal = {Journal of Chemical Physics},
number = 5,
volume = 126,
place = {United States},
year = {Wed Feb 07 00:00:00 EST 2007},
month = {Wed Feb 07 00:00:00 EST 2007}
}
  • The results of numerical study of physical characteristics (the pair and triplet correlation functions, the isothermal compressibility, the heat capacities, and the diffusion constants) are presented for quasi-2D dissipative Yukawa systems. The specific features of these characteristics (reflecting the two-stage melting scenario) are investigated.
  • The shear viscosity of a two-dimensional (2D) liquid was calculated using molecular dynamics simulations with a Yukawa potential. The viscosity has a minimum at a Coulomb coupling parameter {gamma} of about 17, arising from the temperature dependence of the kinetic and potential contributions. Previous calculations of 2D viscosity were less extensive as well as for a different potential. The stress autocorrelation function was found to decay rapidly, contrary to earlier work. These results are useful for 2D condensed matter systems and are compared to a dusty plasma experiment.
  • Properties of two-dimensional strongly coupled Yukawa systems are explored through molecular dynamics simulations. An effective coupling coefficient {gamma}{sup *} for the liquid phase is introduced on the basis of the constancy of the first peak amplitude of the pair-correlation functions. Thermodynamic quantities are calculated from the pair-correlation function. The solid-liquid transition of the system is investigated through the analysis of the bond-angular order parameter. The static structure function satisfies consistency relation, attesting to the reliability of the computational method. The response is shown to be governed by the correlational part of the inverse compressibility. An analysis of the velocity autocorrelationmore » demonstrates that this latter also exhibits a universal behavior.« less
  • New data on heat transfer in two-dimensional Yukawa systems have been obtained. The results of a numerical study of the thermal conductivity for equilibrium systems with parameters close to the conditions of laboratory experiments in dusty plasma are presented. The Green-Kubo relations are used to calculate the heat transfer coefficients. The influence of dissipation (internal friction) on the heat transfer processes in nonideal systems is studied. New approximations are proposed for the thermal conductivity and diffusivity for nonideal dissipative systems. The results obtained are compared with the existing experimental and numerical data.