• Molecular dynamics study of two-and three-dimensional classical fluids using double Yukawa potential

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      https://www.ias.ac.in/article/fulltext/pram/065/03/0457-0468

    • Keywords

       

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

    • Abstract

       

      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.

    • Author Affiliations

       

      Y Pathania1 P K Ahluwalia1

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

       
  • Pramana – Journal of Physics | News

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