Thermal instability of decahedral structures in platinum nanoparticles

Abstract

We conduct molecular dynamics simulations of 887 and 1389-atom decahedral platinum nanoparticles using an embedded atom potential. By constructing microcanonical caloric curves, we identify structural transitions from decahedral to fcc in the particles prior to melting. The transitions take place during phase coexistence and appear to occur via melting of the decahedral structure and subsequent recrystallisation into the fcc structure.