title: Modeling the crystallization of gold nanoclusters-the effect of the potential energy function.
abstract: The crystallization dynamics of 5083 atom gold nanoclusters, which were quenched from the melt, were studied by molecular dynamics (MD) using the EAM 'Glue' and 'Force-matched' potentials to compare and contrast how the crystallization dynamics is affected by these potential energy functions. MD simulations from each potential showed the formation of gold nanoclusters of icosahedral morphology during the quenching process, which is in good agreement with the experimental studies of gold nanoclusters formed under vacuum. The effect of the potential on the evolution of cluster (surface and interior) morphology during the crystallization process is discussed.
authors.affiliation: Institut fuer Physik, Universitaet Mainz, Staudinger Weg 7, D-55099 Mainz, Germany.
authors.forename: Yu Hang
authors.initials: YH
authors.lastname: Chui
authors.forename: George
authors.initials: G
authors.lastname: Opletal
authors.forename: Ian K
authors.initials: IK
authors.lastname: Snook
authors.forename: Salvy P
authors.initials: SP
authors.lastname: Russo