Электронная библиотека (репозиторий) Томского государственного университета
молекулярная динамика | Bubenchikov, Alexey M.

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Source: Meccanica. 2022. Vol. 57, № 9. P. 2293-2301
Type: статьи в журналах
Date: 2022
Description: The interaction of two molecular oscillating tori is theoretical investigated using the methods of classical molecular dynamics. In the paper, we found that a group of carbon nanotori located near eac ... More
Source: Crystals. 2022. Vol. 12, № 4. P. 521 (1-10)
Type: статьи в журналах
Date: 2022
Description: The manuscript presents a trajectory method for describing the rotations of surface crystals such as fullerenes, nanotubes, and nanotori. This method does not require the implementation of successive ... More
Source: Crystals. 2022. Vol. 12, № 8. P. 1179 (1-11)
Type: статьи в журналах
Date: 2022
Description: The character of C-60 fullerene motion inside a cylindrical carbon nanocontainer with flat graphene covers has been studied. A new trajectory approach to describe the three-dimensional motion of fulle ... More
Source: Journal of physics: Condensed matter. 2022. Vol. 34, № 12. P. 125101
Type: статьи в журналах
Date: 2022
Description: The potential of tori interactions, simple in form, is obtained, which underlies the mechanisms of the formation of molecular associations in liquid crystals. In the considered linear aggregates, the ... More
Source: Journal of Physics: Conference Series. 2022. Vol. 2211. P. 012004 (1-4)
Type: статьи в журналах
Date: 2022
Source: Fullerenes, nanotubes, and carbon nanostructures. 2021. Vol. 29, № 10. P. 825-831
Type: статьи в журналах
Date: 2021
Description: In this work, the integral potential of the C180 nanotori is constructed. The angular corrections in the law of distribution of the interaction energy are found, which turned out to be valid for all t ... More
Source: Crystals. 2021. Vol. 11, № 10. P. 1197 (1-12)
Type: статьи в журналах
Date: 2021
Description: Supramolecular interaction of carbon nanotori in a columnar phase is described using the methods of classical molecular dynamics. The collective behavior and dynamic properties of toroidal molecules a ... More
Source: Fullerenes, nanotubes, and carbon nanostructures. 2021. Vol. 29, № 10. P. 803-809
Type: статьи в журналах
Date: 2021
Description: In the present paper the Euler approach which is generalised for the case of interaction of bodies with deformation is used to describe motions of dimers and unbound fullerenes inside a carbon nanotub ... More
Source: Russian physics journal. 2019. Vol. 61, № 11. P. 1956-1963
Type: статьи в журналах
Date: 2019
Description: The paper considers carbyne nanostructures as filtering members for separation of gas mixtures based on selective adsorption of its components, in particular, hydrogen, helium and methane. The size of ... More
Source: Thermal science. 2019. Vol. 23, Suppl. 2. P. S463-S469
Type: статьи в журналах
Date: 2019
Description: The paper studies process of interaction of a moving molecule with structure atoms. The mathematical description is based on application of Hamiltonian systems model and numerical methods for solving ... More
Source: EPJ Web of Conferences. 2016. Vol. 110. P. 01061 (1-9)
Type: статьи в журналах
Date: 2016
Description: The integration of the modified LJ-potential allowed revealing the universal effect of the open carbon tube on the molecular objects moving within or proximate to the tube. There has been established ... More
Source: IOP Conference Series: Materials Science and Engineering. 2015. Vol. 87. P. 012111 (1-4)
Type: статьи в журналах
Date: 2015
Description: The present paper theoretically studies helium and helion passage through pores in a graphene sheet using classical molecular dynamics. It was found that, within the frame of the suggested model, for ... More
Source: Applied mechanics and materials. 2015. Vol. 698. P. 627-630
Type: статьи в журналах
Date: 2015
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