Melting dynamics and isomer distributions of small metal clusters

Details Melting dynamics and isomer distributions of small metal clusters Melting dynamics and isomer distributions of small metal clusters

Feb 2005

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2005njph....7...60a&link_type=abstract

New Journal of Physics, Volume 7, Issue 1, pp. 60 (2005).

Physics

10

Scientific paper

The structure and dynamics of NiN, AgN and AuN (N = 6 30) clusters have been studied extensively by Monte Carlo and molecular dynamics methods based on the Sutton Chen many-body potential. An exhaustive search for low-energy minima on the potential energy surface was carried out using the eigenvector-following technique. The exponential increase in the number of isomers with atomic size is demonstrated and compared. The binding energies and point groups of global minimum and first two isomers of NiN, AgN and AuN (N = 6 14) clusters are listed. The melting properties and temperatures of the clusters are reported.

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