Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2005-09-13
Phys. Rev. B 73, 125407 (2006)
Physics
Condensed Matter
Other Condensed Matter
Scientific paper
10.1103/PhysRevB.73.125407
The melting of Al clusters in the size range 49 <= N <= 62 has been studied using two model interatomic potentials. The results for the two models are significantly different. The glue potential exhibits a smooth relatively featureless heat capacity curve for all sizes except for N = 54 and N = 55, sizes at which icosahedral structures are favoured over the polytetrahedral. Gupta heat capacity curves, instead, show a well-defined peak that is indicative of a first-order-like transition. The differences between the two models reflect the different ground-state structures, and neither potential is able to reproduce or explain the size dependence of the melting transition recently observed in experiments.
Calvo Florent
Doye Jonathan P. K.
Noya Eva G.
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