Alexander V. Savin

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Dynamics of topological solitons describing open states in the DNA double helix are studied in the framework of a model that takes into account asymmetry of the helix. It is shown that three types of topological solitons can occur in the DNA double chain. Interaction between the solitons, their interactions with the chain inhomogeneities, and stability of(More)
We provide molecular-dynamics simulation of heat transport in one-dimensional molecular chains with different interparticle pair potentials. We show that the thermal conductivity is finite in the thermodynamic limit in chains with the potentials that allow for bond dissociation. The Lennard-Jones, Morse, and Coulomb potentials are such potentials. The(More)
Thermal conductivity of isolated single molecule DNA fragments is of importance for nanotechnology, but has not yet been measured experimentally. Theoretical estimates based on simplified (1D) models predict anomalously high thermal conductivity. To investigate thermal properties of single molecule DNA we have developed a 3D coarse-grained (CG) model that(More)
Alexander V. Savin,1,2 Yuri S. Kivshar,2 and Bambi Hu3,4 1Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow 119991, Russia 2Nonlinear Physics Center, Research School of Physics and Engineering, Australian National University, Canberra, Australian Capital Territory 0200, Australia 3Department of Physics, University of Houston,(More)
Although stretching of most polymer chains leads to rather featureless force-extension diagrams, some, notably DNA, exhibit nontrivial behavior with a distinct plateau region. Here, we propose a unified theory that connects force-extension characteristics of the polymer chain with the convexity properties of the extension energy profile of its individual(More)
The problem of the existence and stability of dynamical soliton regimes in a helix polymer is solved numerically. For the polytetrafluoroethylene macromolecule, within a model in which deformations of the valence and torsion angles and the valence bonds are taken into account, two types of soliton solutions are found. The first type describes the(More)
We propose a method for computing the temperature dependence of the heat capacity in complex molecular systems. The proposed scheme is based on the use of the Langevin equation with low-frequency color noise. We obtain the temperature dependence of the correlation time of random noises, which enables us to model the partial thermalization of high-frequency(More)
The process of heat conduction in one-dimensional lattices with on-site potential is studied by means of numerical simulation. Using the discrete Frenkel-Kontorova, phi(4), and sinh-Gordon models we demonstrate that contrary to previously expressed opinions the sole anharmonicity of the on-site potential is insufficient to ensure the normal heat(More)