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Article overview
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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 | Abstract: | The 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 | Services: | Forum | Review | PDF | Favorites |
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