Molecular dynamics study on the melting phase transition of aluminum clusters with around 55 atoms

Heat capacities of aluminum clusters with around 55 atoms are investigated using extremely long constant-energy molecular dynamics simulations with an empirical many-body interaction potential. Different isomers are taken as the initial structures and found to anneal into the lowest-energy structure before melting during the temperature increase. The heat capacities of different isomers were found to be the same at low temperatures. Dips that emerged in the heat capacities in the previous experiment are not found.