The Influence of Truncated Radius on the Molecular Dynamics Simulation of the Interface between Coexisting Phases

摘要

The purpose of the present paper is to discuss the influence of the truncated radius on the results of molecular dynamics simulation of the interface between coexisting phases. The densities of the saturated vapor and liquid and surface tension of the L-J fluid under different temperatures were obtained by applying molecular dynamics simulation with different truncated radii. The results show the densities of saturated vapor and liquid and surface tension change with truncated radius R and tend to their experimental data as R increases. The proper radius for calculating the properties of the inhomogeneous system is greater than that for the homogeneous phase and the influence of R on the calculation of the surface tension is stronger than that of the densities.