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

L. A. Openov·A. I. Podlivaev
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Abstract

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 τof 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 τon T.

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L. A. Openov, A. I. Podlivaev. 2006-10-02. Decay and fusion as two different mechanisms of stability loss for the (C_20)_2 cluster dimer. https://doi.org/10.1134/s0021364006160041

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