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Growth of C30 and C31 Clusters: Structures, Energetics and Dynamics |
| GONG Xiu-Fang;WANG Yin;NING Xi-Jing |
| Institute of Modern Physics, Fudan University, Shanghai 200433Key Laboratory of Applied Ion Beam Physics (Ministry of Education), Fudan University, Shanghai 200433 |
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| Cite this article: |
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GONG Xiu-Fang, WANG Yin, NING Xi-Jing 2008 Chin. Phys. Lett. 25 468-471 |
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Abstract We obtain the isomer spectra of C30 and C31 clusters by time-going-backward quasi-dynamics method and perform molecular dynamics simulations of the cluster growth from isolated atoms in He buffer gas at 2500K. The
geometrical structures of the isomers of C30 and C31 can be classified into closed cages, open cages, bowls, sheets and other irregular shapes, where closed cages are found to have the lowest potential energies. However, dynamics simulations show that the sheet structures of C30 and C31 are the dominant outcome at the simulation temperature. Compared with relevant experimental results, we propose a different view in interpreting the
experimental data and a research procedure to predict isomers that would be formed most probably under specific experimental conditions.
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| Keywords:
31.15.Qg
36.40.-c
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Received: 15 November 2007
Published: 30 January 2008
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