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Title: Surface effects in vibrational and melting properties of Pb clusters
Authors: Lim, H.S. 
Ong, C.K. 
Ercolessi, F.
Keywords: 36.40
Issue Date: Mar-1993
Citation: Lim, H.S.,Ong, C.K.,Ercolessi, F. (1993-03). Surface effects in vibrational and melting properties of Pb clusters. Zeitschrift für Physik D Atoms, Molecules and Clusters 26 (1 Supplement) : 45-47. ScholarBank@NUS Repository.
Abstract: We have studied the structural, dynamical and thermodynamical behaviour of Pb clusters in the N=147-2057 range, using a phenomenological many-body potential and molecular dynamics. Cuboctahedral structures, previously found to be particularly stable for this system, are used as starting configurations at low T. Calculated size-dependent melting temperatures appear to be reasonably accounted for by Pawlow's law, Tm(N)=Tm(∞)-AN-1/3. The behaviour of the mean square displacements and direct structural observations suggest that melting initiates at the surface, in agreement with recent experimental observations. High-frequency surface peaks in the vibrational spectrum disappear as T approaches Tm, in coincidence with the onset of surface diffusion. © 1993 Springer-Verlag.
Source Title: Zeitschrift für Physik D Atoms, Molecules and Clusters
ISSN: 01787683
DOI: 10.1007/BF01425613
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