Molecular dynamics study of the melting and crystallization of nanoparticles

The size effects during the melting and crystallization of Lennard-Jones nanoparticles and metal clusters are investigated using two independently developed computer programs based on isothermal molecular dynamics. The interaction in nanoparticles and clusters is described in terms of collective potentials. It is established that, when the radii of nanoparticles exceed a certain characteristic value, their melting temperature exceeds the temperature of their crystallization.