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Abstract: We investigate the formation of fullerene-like structures from hot Carbon gasusing classical molecular dynamics, employing Brenner-s potential. Inparticular we examine the influence of different annealing strategies onfullerene yield, which is characterized by the distribution of coordinationnumbers and polygon numbers. It will be shown that the fullerene yield stronglydepends on the annealing strategy. Furthermore, we observe a close relationbetween polygon formation and the number of atoms surrounded by three atoms.



Autor: Klaus Lichtenegger, Wolfgang von der Linden

Fuente: https://arxiv.org/







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