Molecular dynamics simulation of an evaporating sodium droplet

Developments and advancements have recently been made on the nanoscale leve l, particularly in the area of the thermal sciences. Since continuum mechan ics fail in such phenomena, a demand for molecular level analysis has been created. Molecular dynamics simulation has proven to be a viable means of m icroscopic analysis, due primarily to the advanced design of high speed com puters. A molecular dynamics simulation is performed to analyse the limits of macroscopic behaviour of an isolated evaporating liquid sodium droplet. Lennard-Jones 12.6 potential is used to determine the intermolecular forces . Details of the simulation are presented as well as Variations in properti es obtained from the simulation. Parameters such as the bulk liquid density , vapour density, vapour pressure, surface tension, and interfacial surface thickness with respect to temperature are determined. Comparisons of the s imulation results to the limiting macroscopic properties are made and trend s in the data are discussed. (C) Elsevier, Paris.