Some physical properties of the Weeks–Chandler–Andersen fluid

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 .

Keywords:

• LJ potential
• WCA potential
• Phase diagram
• Thermomechanical properties
• Molecular dynamics simulation

Acknowledgements

DMH and HO thank The Royal Society (London) and the Japan Society for the Promotion of Science for funding this collaboration. The authors thank Dr A.C. Brańka, Institute for Molecular Physics, Polish Academy of Sciences, Poznań, Poland, for useful discussions.

Notes

§Email: [email protected].

Additional information

Notes on contributors

H. Okumura

§ §Email: [email protected].