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Molecular dynamics; radial distribution function; velocity autocorrelation function; mean square displacement; diffusion coefficient

We have carried out a molecular dynamics simulation of two- and three-dimensional double Yukawa fluids near the triple point. We have compared some of the static and dynamic correlation functions with those of Lennard—Jones, when parameters occurring in double Yukawa potential are chosen to fit Lennard-Jones potential. The results are in good agreement. However, when repulsive and attractive parameters occurring in double Yukawa potential are varied, we found distinct differences in static and dynamic correlation functions. We have also compared the two-dimensional correlation functions with those of three-dimensional to study the effect of dimensionality, near the triple point region.

Y Pathania¹ P K Ahluwalia¹

1. Department of Physics, Himachal Pradesh University, Shimla - 171 005, India

Published

September 2005

Manuscript received

7 July 2003

Manuscript revised

7 March 2005

Accepted

22 March 2005