Topological characterization of crystallization of gold nanoclusters.
J Chem Phys
; 125(11): 114703, 2006 Sep 21.
Article
em En
| MEDLINE
| ID: mdl-16999497
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.
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2006
Tipo de documento:
Article