On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect

On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect

Based on the semi-classical Holstein Hamiltonian we consider charge transfer along a DNA chain of sites at different thermostat temperatures. Recently, using the computer simulation, it has been shown that the charge distribution in homogeneous chains in thermodynamic equilibrium depends not only on...

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Main Authors: Fialko Nadezhda, Pyatkov Maxim, Lakhno Victor
Format: Article
Language:English
Published: EDP Sciences 2018-01-01
Series:EPJ Web of Conferences
Online Access:https://doi.org/10.1051/epjconf/201817306004
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spelling doaj-58dfae25218a43f7a91bf6b1bc8b48d12021-08-02T07:18:01ZengEDP SciencesEPJ Web of Conferences2100-014X2018-01-011730600410.1051/epjconf/201817306004epjconf_mmcp2018_06004On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a DefectFialko NadezhdaPyatkov MaximLakhno VictorBased on the semi-classical Holstein Hamiltonian we consider charge transfer along a DNA chain of sites at different thermostat temperatures. Recently, using the computer simulation, it has been shown that the charge distribution in homogeneous chains in thermodynamic equilibrium depends not only on the temperature, but also on the length of the chain. We have studied numerically the case of polyadenine fragments with a defect site in the middle of the chain. The results demonstrate qualitatively similar behavior of thermodynamic equilibrium quantities in the case of the homogeneous chain and of the chain with a defect. Insertion of a trap-site enhances the stability of polaron states.https://doi.org/10.1051/epjconf/201817306004
collection DOAJ
language English
format Article
sources DOAJ
author Fialko Nadezhda
Pyatkov Maxim
Lakhno Victor
spellingShingle Fialko Nadezhda
Pyatkov Maxim
Lakhno Victor
On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
EPJ Web of Conferences
author_facet Fialko Nadezhda
Pyatkov Maxim
Lakhno Victor
author_sort Fialko Nadezhda
title On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
title_short On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
title_full On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
title_fullStr On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
title_full_unstemmed On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
title_sort on the thermodynamic equilibrium distribution of a charge in a homogeneous chain with a defect
publisher EDP Sciences
series EPJ Web of Conferences
issn 2100-014X
publishDate 2018-01-01
description Based on the semi-classical Holstein Hamiltonian we consider charge transfer along a DNA chain of sites at different thermostat temperatures. Recently, using the computer simulation, it has been shown that the charge distribution in homogeneous chains in thermodynamic equilibrium depends not only on the temperature, but also on the length of the chain. We have studied numerically the case of polyadenine fragments with a defect site in the middle of the chain. The results demonstrate qualitatively similar behavior of thermodynamic equilibrium quantities in the case of the homogeneous chain and of the chain with a defect. Insertion of a trap-site enhances the stability of polaron states.
url https://doi.org/10.1051/epjconf/201817306004
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AT pyatkovmaxim onthethermodynamicequilibriumdistributionofachargeinahomogeneouschainwithadefect
AT lakhnovictor onthethermodynamicequilibriumdistributionofachargeinahomogeneouschainwithadefect
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