Abstract
A hybrid discrete-continuous physical and mathematical model is used to study what deformation characteristics cause the rolling effect of C60 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 C60 fullerene in a crystalline fragment are presented.
Highlights
Interest in fullerene-containing materials is due to a wide variety of properties that are widely used in biology, medicine, chemistry, electronics, and materials science [1,2,3,4,5,6,7]
The C60 molecules have high mechanical rigidity, stability, and strength but a fullerite crystal consisting of the C60 molecules is a fairly soft material [12,13,14,15]
Due to intermolecular forces caused by van der Waals forces, fullerenes at nodes of the fullerite crystal lattice at room temperature perform the rotational motions in the gigahertz frequency range [16,17,18,19,20]
Summary
Interest in fullerene-containing materials is due to a wide variety of properties that are widely used in biology, medicine, chemistry, electronics, and materials science [1,2,3,4,5,6,7]. The Euler dynamic equations are used to describe the rotational motion of the central fullerene molecule around its center of mass [33,34]: J1 dωξ dt
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