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Fizika Tverdogo Tela, 2021, Volume 63, Issue 7, Pages 975–981
DOI: https://doi.org/10.21883/FTT.2021.07.51051.016
(Mi ftt8102)
 

Low dimensional systems

Thermal conductivity of rotator chains with a double-barrier interaction potential

A. P. Klinov, M. A. Mazo, V. V. Smirnov

Semenov Federal Research Center of Chemical Physics, Russian Academy of Sciences, Moscow, Russia
Abstract: The results of numerical simulation of the thermal conductivity of a one-dimensional chain of rotators with a double-barrier interaction potential between the nearest neighbors are presented. It is shown that the internal barrier that separates topologically nonequivalent degenerate states has a substantial effect on the temperature dependence of the thermal conductivity of the chain. At low heights of this barrier in the low-temperature region, the main contribution to the increase in the thermal conductivity is made by nonlinear normal modes. With an increase in the temperature, the increase in the thermal conductivity is limited by the occurrence of local above-barrier transitions that prevent energy transfer along the chain. With an increase in the internal barrier height, the contribution of nonlinear normal modes to the energy transfer process decreases and the system exhibits the temperature behavior typical of systems of conventional rotators.
Keywords: simulation, one-dimensional systems, rotator model, thermal conductivity, xeno nucleic acid.
Funding agency Grant number
Ministry of Education and Science of the Russian Federation 0082-2014-0013
Russian Foundation for Basic Research 20-33-90165
This work was supported by the Program of Fundamental Research of the Russian Academy of Sciences (project no. 0082-2014-0013) and by a grant from the Russian Foundation for Basic Research (project no. 20-33-90165). Computational resources were provided by Joint Supercomputer Center of the Russian Academy of Sciences.
Received: 29.01.2021
Revised: 20.03.2021
Accepted: 21.03.2021
English version:
Physics of the Solid State, 2021, Volume 63, Issue 7, Pages 1014–1020
DOI: https://doi.org/10.1134/S1063783421070118
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: A. P. Klinov, M. A. Mazo, V. V. Smirnov, “Thermal conductivity of rotator chains with a double-barrier interaction potential”, Fizika Tverdogo Tela, 63:7 (2021), 975–981; Phys. Solid State, 63:7 (2021), 1014–1020
Citation in format AMSBIB
\Bibitem{KliMazSmi21}
\by A.~P.~Klinov, M.~A.~Mazo, V.~V.~Smirnov
\paper Thermal conductivity of rotator chains with a double-barrier interaction potential
\jour Fizika Tverdogo Tela
\yr 2021
\vol 63
\issue 7
\pages 975--981
\mathnet{http://mi.mathnet.ru/ftt8102}
\crossref{https://doi.org/10.21883/FTT.2021.07.51051.016}
\elib{https://elibrary.ru/item.asp?id=46346448}
\transl
\jour Phys. Solid State
\yr 2021
\vol 63
\issue 7
\pages 1014--1020
\crossref{https://doi.org/10.1134/S1063783421070118}
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