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Technical Report CMS-TR-20051230


Title "Magic Melters" Have Geometrical Origin
Author/s Kavita Joshi
Department of Physics, Savitribai Phule Pune University, Pune 411 007 India


Sailaja Krishnamurty, D. G. Kanhere
Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411 007 India
Abstract Recent experimental reports bring out extreme size sensitivity in the heat capacities of gallium and aluminum clusters. In the present work we report results of our extensive ab initio molecular dynamical simulations on Ga30 and Ga31, the pair which has shown rather dramatic size sensitivity. We trace the origin of this size sensitive heat capacities to the relative order in their respective ground state geometries. Such an effect of nature of the ground state on the characteristics of heat capacity is also seen in case of small gallium and sodium clusters, indicating that the observed size sensitivity is a generic feature of small clusters.
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Citing This Document Kavita Joshi, Sailaja Krishnamurty, and D. G. Kanhere , "Magic Melters" Have Geometrical Origin . Technical Report CMS-TR-20051230 of the Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411007, India (2005); available at http://cms.unipune.ernet.in/reports/.
Notes, Published Reference, Etc. Published as Physical Review Letters 96, 135703 (2006)
Contact kanhere AT unipune.ac.in
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