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Melting of aluminium clusters

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....

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted Manuscript

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Publisher copy:
10.1103/PhysRevB.73.125407

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Royal Society More from this funder
Ramon Areces Foundation More from this funder
Publisher:
American Physical Society Publisher's website
Journal:
Physical Review B Journal website
Volume:
73
Issue:
12
Pages:
Article: 125407
Publication date:
2005-09-05
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
URN:
uuid:e469b47e-53e8-42af-9fc7-e694996d53b5
Source identifiers:
39944
Local pid:
pubs:39944
Language:
English
Keywords:

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