Movement of C100 fullerene in a closed carbon nanocontainer
The paper proposes a method for high-precision calculations of the fullerene dynamics in a cylindrical carbon nanocontainer. The method has no restrictions on nutation angles since it does not involve calculating Euler angles. In this case, the position of the body in space is determined by the coor...
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| Veröffentlicht in: | Computational particle mechanics 2023-09, Vol.10 (5), p.1161-1170 |
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| container_title | Computational particle mechanics |
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| creator | Borodin, Vladislav I. Bubenchikov, Alexey M. Bubenchikov, Mikhail A. Chelnokova, Anna S. Mamontov, Dmitriy V. |
| description | The paper proposes a method for high-precision calculations of the fullerene dynamics in a cylindrical carbon nanocontainer. The method has no restrictions on nutation angles since it does not involve calculating Euler angles. In this case, the position of the body in space is determined by the coordinates of its three points do not lie on one straight line. The results of numerical calculations are compared with the exact analytical solution on the rotation of the molecular structure by inertia around its center of mass. The accuracy of calculations is controlled by maintaining the balance of total mechanical energy in the system. |
| doi_str_mv | 10.1007/s40571-023-00552-7 |
| format | Article |
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| ispartof | Computational particle mechanics, 2023-09, Vol.10 (5), p.1161-1170 |
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| subjects | Carbon Classical and Continuum Physics Computational Science and Engineering Engineering Euler angles Exact solutions Fullerenes Mathematical analysis Molecular structure Nutation Straight lines Theoretical and Applied Mechanics |
| title | Movement of C100 fullerene in a closed carbon nanocontainer |
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