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Details for article 19 of 37 found articles
| Title: |
Melting transition in rotating sodium clusters |
| Author: |
Aguado, Andrés López, José M. |
| Appeared in: |
Journal of computational methods in sciences and engineering |
| Paging: | Volume 7 (2008) nr. 5-6 pages 339-353 |
| Year: |
2008-05-27 |
| Contents: |
We investigate the possible influence of a global cluster rotation on the melting-like transition of Na30, Na55 and Na147, by means of orbital-free density-functional molecular dynamics simulations. The results reveal that very large angular momenta $\vec{L}$ are needed to significantly alter the results of simulations performed on nonrotating clusters, and therefore validate the usual L = 0 approximation made in computer simulations of cluster thermal properties. However, a global rotation might have a more profound influence on the thermal properties in the limit of very small cluster sizes, when the ratio of rotational to vibrational degrees of freedom is not negligible. For those clusters which are in a highly excited rotational state, we find enhanced isomerization rates and even depressed melting points. |
| Publisher: |
IOS Press |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 19 of 37 found articles
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