dorsal/arxiv
View SchemaGeometrical and statistical factors in fission of small metal clusters
| Authors | O. I. Obolensky, A. G. Lyalin, A. V. Solov'yov, W. Greiner |
|---|---|
| Categories | |
| ArXiv ID | physics/0501125 |
| URL | https://arxiv.org/abs/physics/0501125 |
| DOI | 10.1103/PhysRevB.72.085433 |
Abstract
Fission of metastable charged univalent metal clusters has been studied on example of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density functional theory methods. Energetics of the process, i.e. dissociation energies and fission barriers, as well as its dynamics, i.e. fission pathways, have been analyzed. The dissociation energies and fission barriers have been calculated for the full range of fission channels for the Na_{10}^{2+} cluster. The impact of cluster structure on the fission process has been elucidated. The calculations show that the geometry of the smaller fragment and geometry of its immediate neighborhood in the larger fragment play a leading role in defining the fission barrier height. The present study demonstrates importance of rearrangement of the cluster structure during fission. It may include forming a neck between the two fragments or fissioning via another isomer state of the parent cluster; examples of such processes are given. For several low-lying isomers of Na_{10}^{2+} cluster the potential barriers for transitions between these isomer states are calculated and compared with the corresponding fission barriers. These data suggest that there is a competition between "direct" fission and fission going via intermediate isomer states of the parent cluster. An impact of the cluster geometry on the change of the system's entropy due to fission is also discussed.
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"abstract": "Fission of metastable charged univalent metal clusters has been studied on\nexample of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density\nfunctional theory methods. Energetics of the process, i.e. dissociation\nenergies and fission barriers, as well as its dynamics, i.e. fission pathways,\nhave been analyzed. The dissociation energies and fission barriers have been\ncalculated for the full range of fission channels for the Na_{10}^{2+} cluster.\nThe impact of cluster structure on the fission process has been elucidated. The\ncalculations show that the geometry of the smaller fragment and geometry of its\nimmediate neighborhood in the larger fragment play a leading role in defining\nthe fission barrier height. The present study demonstrates importance of\nrearrangement of the cluster structure during fission. It may include forming a\nneck between the two fragments or fissioning via another isomer state of the\nparent cluster; examples of such processes are given. For several low-lying\nisomers of Na_{10}^{2+} cluster the potential barriers for transitions between\nthese isomer states are calculated and compared with the corresponding fission\nbarriers. These data suggest that there is a competition between \"direct\"\nfission and fission going via intermediate isomer states of the parent cluster.\nAn impact of the cluster geometry on the change of the system\u0027s entropy due to\nfission is also discussed.",
"arxiv_id": "physics/0501125",
"authors": [
"O. I. Obolensky",
"A. G. Lyalin",
"A. V. Solov\u0027yov",
"W. Greiner"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1103/PhysRevB.72.085433",
"title": "Geometrical and statistical factors in fission of small metal clusters",
"url": "https://arxiv.org/abs/physics/0501125"
},
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