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...

Full description

Bibliographic Details
Published in:Crystals Vol. 12, № 2. P. 260 (1-12)
Other Authors: Lun-Fu, Aleksandr V., Bubenchikov, Alexey M., Bubenchikov, Mikhail A., Ovchinnikov, Vyacheslav A.
Format: Article
Language:English
Subjects:
Online Access:http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001002844
Description
Summary: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.
Bibliography:Библиогр.: 51 назв.
ISSN:2073-4352