The onset of a liquid-vapour transition in metallic nanoparticles

Abstract

We study lead nanodroplets containing 147 to 1415 atoms at temperatures ranging from the bulk melting point up to the beginning of the evaporation regime. Molecular dynamics simulation and an embedded atom potential are used. The structures, total energies, and mobility of atoms in the clusters are analyzed. We found that the liquid cluster of 147 atoms shows a pronounced tendency to form non-spherical shapes, and sometimes separates into two droplets. Bigger clusters disassemble by evaporation of monomers. We also explore shape oscillations of these nanodroplets using the nuclear liquid drop model.