Melting of aluminium clusters
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 = 5...
| Main Authors: | , , |
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| Format: | Journal article |
| Sprog: | English |
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American Physical Society
2005
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| _version_ | 1826301777463476224 |
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| author | Noya, E Doye, J Calvo, F |
| author_facet | Noya, E Doye, J Calvo, F |
| author_sort | Noya, E |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-07T05:37:30Z |
| format | Journal article |
| id | oxford-uuid:e469b47e-53e8-42af-9fc7-e694996d53b5 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T05:37:30Z |
| publishDate | 2005 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | oxford-uuid:e469b47e-53e8-42af-9fc7-e694996d53b52022-03-27T10:16:25ZMelting of aluminium clustersJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:e469b47e-53e8-42af-9fc7-e694996d53b5EnglishSymplectic Elements at OxfordAmerican Physical Society2005Noya, EDoye, JCalvo, FThe 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. |
| spellingShingle | Noya, E Doye, J Calvo, F Melting of aluminium clusters |
| title | Melting of aluminium clusters |
| title_full | Melting of aluminium clusters |
| title_fullStr | Melting of aluminium clusters |
| title_full_unstemmed | Melting of aluminium clusters |
| title_short | Melting of aluminium clusters |
| title_sort | melting of aluminium clusters |
| work_keys_str_mv | AT noyae meltingofaluminiumclusters AT doyej meltingofaluminiumclusters AT calvof meltingofaluminiumclusters |