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...
| Published in: | Crystals Vol. 12, № 2. P. 260 (1-12) |
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| Other Authors: | , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001002844 Перейти в каталог НБ ТГУ |
| 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. |
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| Bibliography: | Библиогр.: 51 назв. |
| ISSN: | 2073-4352 |