Time-correlation functions and transport coefficients of two-dimensional Yukawa liquids

Abstract

The existence of coefficients for diffusion, viscosity, and thermal conductivity is examined for two-dimensional (2D) liquids. Equilibrium molecular dynamics simulations are performed using a Yukawa potential and the long-time behavior of autocorrelation functions is tested. Advances reported here as compared to previous 2D Yukawa liquid simulations include an assessment of the thermal conductivity, using a larger system size to allow meaningful examination of longer times, and development of improved analysis methods. We find that the transport coefficient exists for diffusion at high temperature and viscosity at low temperature, but not in the opposite limits. The thermal conductivity coefficient does not appear to exist at high temperature. Further advances in computing power could improve these assessments by allowing even larger system sizes and longer time series.