Abstract
Defect formation and annealing processes in fullerene C60 at T = (4000–6000) K are studied using molecular dynamics with a tight-binding potential. The cluster lifetime until fragmentation, which proceeds, as a rule, through the loss of a C2 dimer, has been found as a function of temperature. The activation energy and the frequency factor in the Arrhenius equation for the fragmentation rate have been found to be E a = (9.2 ± 0.4) eV and A = (8 ± 1) × 1019s−1. It is shown that fragmentation can occur already after the C60 cluster loses its spherical shape. This fact must be taken into account in theoretical calculations of E a.
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Original Russian Text © L.A. Openov, A.I. Podlivaev, 2006, published in Pis’ma v Zhumal Éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2006, Vol. 84, No. 2, pp. 73–77.