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29 March 2024
 
  » arxiv » cond-mat/0506571

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Stone-Wales Transformation Paths in Fullerene C60
A.I.Podlivaev ; L.A.Openov ;
Date 22 Jun 2005
Journal Pis’ma Zh. Exp. Teor. Fiz. 81, 656 (2005) [JETP Lett. 81, 533 (2005)]
Subject Other | cond-mat.other
AbstractThe mechanisms of formation of a metastable defect isomer of fullerene C60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the "dynamic" Stone-Wales transformation at a high sufficient for overcoming potential barriers) temperature can differ from the two "adiabatic" transformation paths discussed in the literature. This behavior is due to the presence of a great near-flat segment of the potential-energy surface in the neighborhood of metastable states. Besides, the sequence of rupture and formation of interatomic bonds is other than that in the case of the adiabatictransformation.
Source arXiv, cond-mat/0506571
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