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Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure
Article
Bagrets, A., Werner, R., Evers, Ferdinand
, Schneider, G., Schooss, D. and Wölfle, P.
(2010)
Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure.
Physical Review B 81 (7), 075435.
DOI to cite this document: 10.5283/epub.46201
Abstract
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte Carlo simulations. Our analysis focuses on closed shell structures with extra atoms. The latter can put the cluster under a significant stress and we argue that typically such a strained system ...
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte Carlo simulations. Our analysis focuses on closed shell structures with extra atoms. The latter can put the cluster under a significant stress and we argue that typically such a strained system exhibits a reduced energy barrier for (surface) diffusion of cluster atoms. Consequently, also its surface melting temperature, TS, is reduced, so that TS separates from and actually falls well below the bulk value. The proposed mechanism may be responsible for the suppression of the surface melting temperature observed in recent experiments.
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| Item type | Article | ||||
| Journal or Publication Title | Physical Review B | ||||
| Publisher | American Physical Society (APS) | ||||
| Open Access Type | Due to SHERPA/RoMEO | ||||
| Volume | 81 | ||||
| Number of Issue or Book Chapter | 7 | ||||
| Page Range | 075435 | ||||
| Date | 24 February 2010 | ||||
| Date of publication | 02 Jul 2021 11:49 | ||||
| Institutions | Physics > Institute of Theroretical Physics > Chair Ferdinand Evers | ||||
| Identification Number |
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| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | No | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-462018 | ||||
| Item ID | 46201 |
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