Molecular Dynamics of C60 inside a Carbon Nanotorus

The molecular dynamics of the interaction of a carbon nanotorus with a C 60 fullerene have been calculated. The trajectories of the centers of mass of individual molecules have been calculated together with the frequencies of their rotations and accordingly, the trajectories of each atom. The temper...

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Bibliographic Details
Published in:Russian physics journal 2023-08, Vol.66 (4), p.473-478
Main Authors: Borodin, V. I., Bubenchikov, M. A., Bubenchikov, A. M., Mamontov, D. V.
Format: Article
Language:English
Subjects:
Buckminsterfullerene
Carbon
Condensed Matter Physics
Fullerenes
Hadrons
Heavy Ions
Lasers
Mathematical analysis
Mathematical and Computational Physics
Molecular dynamics
Nuclear Physics
Optical Devices
Optics
Optics and Spectroscopy
Photonics
Physics
Physics and Astronomy
Theoretical
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Summary:The molecular dynamics of the interaction of a carbon nanotorus with a C 60 fullerene have been calculated. The trajectories of the centers of mass of individual molecules have been calculated together with the frequencies of their rotations and accordingly, the trajectories of each atom. The temperature of the system has also been studied. An unstable rotation mode of the C 60 –nanotorus system was found and analyzed in the Louis Poinsot plane. The locus of points in the nanotorus is found with the highest probability of finding the fullerene center of mass due to the potential well of the carbon nanotorus.
ISSN:1064-8887
1573-9228
DOI:10.1007/s11182-023-02962-9