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Fizika Tverdogo Tela, 2021 Volume 63, Issue 7, Pages 975–981 (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.

Received: 29.01.2021
Revised: 20.03.2021
Accepted: 21.03.2021

DOI: 10.21883/FTT.2021.07.51051.016


 English version:
Physics of the Solid State, 2021, 63:7, 1014–1020

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© Steklov Math. Inst. of RAS, 2024