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- Title
ISOMER SPECTRUM OF C<sub>30</sub> CLUSTER AND THE GROWTH DYNAMICS.
- Authors
GONG, XIU-FANG; YANG, GONG-XIAN; NING, XI-JING; WANG, YIN; LI, PENG
- Abstract
We calculated the isomer spectrum of C30 cluster by time-going-backward quasi-dynamics method and performed molecular dynamic simulations of the cluster growth in He buffer gas at 2500 K. Based on geometrical shapes, the isomers can be classified into closed cages, open cages, bowls, sheets and other irregular shapes. Although potential energies and free energies of the sheet isomers are much higher than those of the closed cage isomers, the dynamical simulations show that the sheet isomers rather than the cage isomers dominate in the resultant clusters at the simulation temperature and the most probable sheet isomer lies on the 47th level counted from the bottom one of the isomer spectrum.
- Subjects
ISOMERISM; CARBON compounds; SPECTRUM analysis; MOLECULAR dynamics; HELIUM; TEMPERATURE
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2010, Vol 24, Issue 11, p1441
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979210053227