Some physical properties of the Weeks–Chandler–Andersen fluid

Author: Heyes D. M.   Okumura H.  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.32, Iss.1, 2006-01, pp. : 45-50

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Molecular dynamics (MD) simulations have been carried out of some properties of a Weeks–Chandler–Andersen (WCA) system in its fluid phase. Data for the potential energy components, mean square force, infinite frequency elastic moduli and Poissons ratio are presented as a function of density and temperature. The scaling behaviour of these quantities using reduced variables, such as an effective hard sphere diameter was investigated. The infinite frequency Poisson's ratio was found to increase with packing fraction and temperature towards the incompressible fluid limit value of 1/3. Some success was achieved in scaling the mean square force, by the value of the force squared evaluated at .