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Melting of aluminium clusters

Eva G. Noya·Jonathan P. K. Doye·Florent Calvo
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Abstract

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.

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Eva G. Noya, Jonathan P. K. Doye, Florent Calvo. 2005-09-13. Melting of aluminium clusters. https://doi.org/10.1103/physrevb.73.125407

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