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TitleUnsupported nanometer-sized copper clusters studied by electron diffraction and molecular dynamics
Publication TypeJournal Article
Year of Publication1998
AuthorsReinhard, D., Hall B.D., Berthoud P., Valkealahti S., and Monot R.
JournalPhysical Review B - Condensed Matter and Materials Physics
Pagination4917 - 4926
Date Published1998
ISSN01631829 (ISSN)
AbstractAn electron diffraction study on unsupported nanometer-sized copper clusters has been combined with molecular-dynamics calculations to investigate size-related structural effects. The experimental conditions allow slow cluster growth, close to thermodynamic equilibrium, in an inert-gas-aggregation source. A distinct structural change is observed, which is correlated with cluster size: there is a predominance of icosahedra below 3.8 nm in diameter, and a clear separation of size distributions for icosahedra and fee particles, which are larger. These results confirm the predictions of an earlier molecular-dynamics study. Further molecular-dynamics simulations have provided information on atomic dynamics and thermal expansion of interatomic distances and are compared with experimental data.

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