Investigation of the diffusion of Lennard–Jones particles in phase transition conditions by the molecular dynamics method
S.V. Zhilkin, G.V. Kharlamov
Novosibirsk State Technical University, 20, K. Marksa av., Novosibirsk, 630073, Russia
Keywords: diffusion coefficient, Lennard–Jones potential, phase transition, autocorrelation function of the velocity
Subsection: OPTICS OF CLUSTERS, AEROSOLS, AND HYDROSOLES
Abstract
In this paper, we have calculated the diffusion coefficients of the Lennard–Jones gas in a wide range of density and temperature. A universal dependence of the diffusion coefficients on the density for homogeneous systems was found. A deviation from this dependence in terms of the vapor — liquid phase transition was obtained. Two relaxation phases of autocorrelation velocity function of the system in terms of the phase transition were analyzed and explained.
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