Influence of the potential range on the heat capacity of 13-atom Morse clusters
| Autor: | Michael Moseler, Johannes Nordiek |
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| Rok vydání: | 1999 |
| Předmět: | |
| Zdroj: | Physical Review B. 60:11734-11737 |
| ISSN: | 1095-3795 0163-1829 |
| DOI: | 10.1103/physrevb.60.11734 |
| Popis: | Heat capacity curves as a function of temperature were studied for 13-atom clusters bound by Morse potentials with different range parameters ${\ensuremath{\rho}}_{0}$ \ensuremath{\epsilon} {3,4,5,6,14} using J-walking Monte Carlo. Decreasing the range of the pair potential (i.e., increasing ${\ensuremath{\rho}}_{0})$ increases the peak of the heat capacity in the melting transition region and decreases the boiling temperature. For ${\ensuremath{\rho}}_{0}=14$ the melting and boiling peaks merge. The short-range potential favors a transition from the catchment region of the icosahedral ground state to the basins of higher minima. On the other hand, clusters bound by the long-range potential $({\ensuremath{\rho}}_{0}=3)$ remain in the ground-state basin even for elevated temperatures, which can be explained by the destabilization of important higher minima for ${\ensuremath{\rho}}_{0}l4.$ |
| Databáze: | OpenAIRE |
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