Abstract
The results of computer simulation of a new one-dimensional carbon structure representing chains composed of C20 carbinofullerenes are presented. Their binding energies are determined. Their thermal stability is studied by the method of molecular dynamics. The resistance of chains to stretching is also studied. It is shown that breaking the bond between adjacent carbinofullerene moieties in the chain is a preferred channel for thermal and deformational destruction. The ultimate strains of chains and also the temperature dependence of their lifetime until the time of decay are determined. Using different approaches, the activation energy values and the frequency factors of the decay process in the Arrhenius law are found.
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This work was supported by the Russian Foundation for Basic Research, grant no. 18-02-00278-a, and the Ministry of Science and Higher Education of the Russian Federation within the Program for competitive growth of the National Research Nuclear University MIFI.
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Podlivaev, A.I., Openov, L.A. C20 Carbinofullerene Chains. Phys. Solid State 61, 680–685 (2019). https://doi.org/10.1134/S1063783419040218
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DOI: https://doi.org/10.1134/S1063783419040218