title: Topological characterization of crystallization of gold nanoclusters.
abstract: In this study we use a new topological structure measure to analyze the local environment of 923 atom gold clusters quenched from the melt, at various quench rates, by molecular dynamics. The crystallization and geometrical rearrangements of the core atoms upon freezing can be clearly observed using our structure measure which is based on planar graphs. Our results support the hypothesis that crystallization is initiated from the surface and proceeds into the cluster core.
authors.affiliation: Applied Physics, School of Applied Science, RMIT University, G.P.O. Box 2476V, Melbourne, Victoria 3001, Australia. david.chui@rmit.edu.au
authors.forename: Yu Hang
authors.initials: YH
authors.lastname: Chui
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Rees
authors.forename: Ian K
authors.initials: IK
authors.lastname: Snook
authors.forename: B
authors.initials: B
authors.lastname: O'Malley
authors.forename: Salvy P
authors.initials: SP
authors.lastname: Russo