Melting of aluminium clusters
arXiv:cond-mat/0509334 · doi:10.1103/PhysRevB.73.125407
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.
References in corpus (13)
- Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
- Interatomic potentials from first-principles calculations: the force-matching method
- Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations
- Entropic effects on the structure of Lennard-Jones clusters
- Mapping the magic numbers in binary Lennard-Jones clusters
- Magic number behavior for heat capacities of medium sized classical Lennard-Jones clusters
- Negative heat capacity of sodium clusters
- A model metal potential exhibiting polytetrahedral clusters
- Identifying structural patterns in `disordered' metal clusters
- Lead clusters: different potentials, different structures
- Global minima of Al_N, Au_N and Pt_N, N=2-80, clusters described by Voter-Chen version of embedded-atom potentials
- On the premelting features in sodium clusters
- Melting and evaporation transitions in small Al clusters: canonical Monte-Carlo simulations
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