Decay and fusion as two different mechanisms of stability loss for the (C_20)_2 cluster dimer

Details Decay and fusion as two different mechanisms of stability loss for the (C_20)_2 cluster dimer Decay and fusion as two different mechanisms of stability loss for the (C_20)_2 cluster dimer

2006-10-02

arxiv.org/abs/cond-mat/0610033v1

Pis'ma v Zh. Exp. Teor. Fiz. 84 (2006) 217 [JETP Lett. 84 (2006) 185]

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Slightly modified version of the paper to appear in JETP Lett

Scientific paper

The thermal stability of the (C_20)_2 cluster dimer consisting of two C_20 fullerenes is examined using a tight-binding approach. Molecular dynamics simulations of the (C_20)_2 dimer at temperatures T = 2000 - 3500 K show that the finite lifetime \tau of this metastable system is determined by two fundamentally different processes, the decay of one of the C_20 fullerenes and the fusion of two C_20 fullerenes into the C_40 cluster. The activation energies for these processes Ea = 3.4 and 2.7 eV, respectively, as well as their frequency factors, have been determined by analyzing the dependence of \tau on T.

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