O ct 2 00 6 Decay and fusion as two different mechanisms of stability loss for the ( C 20 ) 2 cluster dimer
نویسندگان
چکیده
Decay and fusion as two different mechanisms of stability loss for the (C 20) 2 cluster dimer 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 τ 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 E a ≈ 3.4 and 2.7 eV, respectively, as well as their frequency factors, have been determined by analyzing the dependence of τ on T .
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