Melting and crystallization in Ni nanoclusters: The mesoscale regime

Melting and crystallization processes for nickel (Ni) nanoclusters containing upto 8007 atoms were simulated using molecular dynamics with the quantum many-body force field. Dependence of melting temperature and heat of fusion on cluster size, including premelting prior to the transition were examined. Results showed large clusters and bulk nickel with atoms more than 500 crystallize easily to form FCC crystals. The supercooled liquid and glassy phase was found to be highly icosahedral same as the premelted phase.