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Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure | A. Bagrets
; R. Werner
; F. Evers
; G. Schneider
; D. Schooss
; P. Woelfle
; | Date: |
14 Dec 2009 | Abstract: | We investigate the interplay of particle number, N, and structural properties
of selected clusters with N=12 up to N=562 by employing Gupta potentials
parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis
focuses on closed shell structures with extra atoms. The latter can put the
cluster under a significant stress and we argue that typically such a strained
system exhibits a reduced energy barrier for (surface) diffusion of cluster
atoms. Consequently, also its surface melting temperature, T_S, is reduced, so
that T_S separates from and actually falls well below the bulk value. The
proposed mechanism may be responsible for the suppression of the surface
melting temperature observed in a recent experiments. | Source: | arXiv, 0912.2760 | Services: | Forum | Review | PDF | Favorites |
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