sodiumdroplet.PDF

Int. J. Therm. Sci. (1999) 38, 66-74 ~) Elsevier, Paris Molecular dynamics simulation of an evaporating sodium droplet Anil P. Bhansali ~, Yildiz Bayazitoglu ~*, Shigeo Maruyama b a Department of Me￡hanical Engineering and Materials Science, Rice University, 6100 South Main Street, Houston, TX 77005-1892, USA b Department of Mechanical Engineering, The University of Tokyo, 7-3-I Hongo, Bunkyo-ku, Tokyo 113, Japan (Received 23 January 1998, accepted 3 June 1998) Abstract--Developments and advancements have recently been made on the nanoscale level, particularly in the area of the thermal sciences. Since continuum mechanics fail in such phenomena, a demand for molecular level analysis has been created. Molecular dynamics simulation has proven to be a viable means of microscopic analysis, due primarily to the advanced design of high speed computers. 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 properties 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 simulation results to the limiting macroscopic properties are made and trends in the data are discussed. ~) Elsevier, Paris molecular / droplet / evaporation / phase change / simulation R~sume -- Simulation de r~vaporation dune gouttelette de sodium par la dynamique molec