Molecular dynamics simulation of nanodrops

Abstract

The results of the structural and thermodynamic properties simulations of the nanodrops, which emerge on the first stage of nanoparticle formation process by supersaturated vapor condensation, are presented in this paper. The systematic calculations of the Lennard-Jones liquid droplets surface tension, depending on equimolar radius (Re) and temperature (T) have been done by the molecular dynamics method. It is shown that surface tension decreases with the decrease of equimolar radius of the drop and it may reach zero at certain R0 depending on temperature. The dependence of the ratio of the droplet surface tension on the liquid - vapor flat surface tension is a universal function of the ratio of the droplet equimolar radius to R0.