Computational analysis of strain-induced effects on the dynamic properties of C60 in fullerite

A hybrid discrete-continuous physical and mathematical model is used to study what deformation characteristics cause the rolling effect of C-60 fullerene in a fullerite crystal. The interaction of fullerene atoms with surrounding molecules is described using a centrally symmetric interaction potenti...

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Опубликовано в: :Crystals Vol. 12, № 2. P. 260 (1-12)
Другие авторы: Lun-Fu, Aleksandr V., Bubenchikov, Alexey M., Bubenchikov, Mikhail A., Ovchinnikov, Vyacheslav A.
Формат: Статья в журнале
Язык:English
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Online-ссылка:http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001002844
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520 3 |a A hybrid discrete-continuous physical and mathematical model is used to study what deformation characteristics cause the rolling effect of C-60 fullerene in a fullerite crystal. The interaction of fullerene atoms with surrounding molecules is described using a centrally symmetric interaction potential, in which the surrounding molecules are considered as a spherical surface of uniformly distributed carbon atoms. The rotational motion of fullerene is described by the Euler dynamic equations. The results of a numerical study of the influence of the rate, magnitude, and direction of strain on the dynamic characteristics of the rotational and translational motion of C-60 fullerene in a crystalline fragment are presented. 
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700 1 |a Bubenchikov, Alexey M. 
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700 1 |a Ovchinnikov, Vyacheslav A. 
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