Three-Dimensional Molecular Dynamics Simulation on Heat Propagation in Liquid Argon

The propagation behaviour of an initial thermal perturbation in liquid argon is simulated by the molecular dynamics method.The 12-6 Lennard-Jones potential and mirror boundary conditions are employed in the 32768particle three-dimensional simulation.Macroscopic characteristics such as the kinetic temperature,pressure and momentum profiles are monitored during the simulation in order to examine the heat propagation behaviour under a timescale comparable with the relaxation time.The results show that the behaviour is still diffusionlike;no features predicted by the Cattaneo-Vernotte model have been found.The wave-like front of the local temperature may be caused by the adiabatic compression and expansion by the pressure wave generated by the thermal expansion.