219 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Russian Academy of SciencesRU61 papers
- P.N. Lebedev Physical Institute of the Russian Academy of SciencesRU22 papers
- Lomonosov Moscow State UniversityRU21 papers
- Centre National de la Recherche ScientifiqueFR20 papers
- National Research University Higher School of EconomicsRU15 papers
- Interdisciplinary Scientific Center J.-V. PonceletRU10 papers
- Moscow Institute of Physics and TechnologyRU10 papers
- Laboratoire de Physique Théorique et Modèles StatistiquesFR9 papers
- Université Paris-SudFR9 papers
- Technion – Israel Institute of TechnologyIL8 papers
- Australian National UniversityAU7 papers
- Institute for Information Transmission ProblemsRU7 papers
25 papers · 1 filter
Computational Design Rules for Helical Aromatic Foldamers: Stacking, Solvent Effects, and Conformational Stability
Kseniia Storozheva, Anastasia Markina, Vladik Avetisov
Molecular-scale materials with bistable behavior and tunable properties are increasingly relevant for next-generation nanoscale electronic devices. Helical foldamers are promising…
Martini 3 application for the design of bistable nanomachines
Alexander D. Muratov, Vladik A. Avetisov
During our previous modeling using all-atom molecular dynamics, we have identified several foldamers whose nanoscale behavior resembles that of classic bistable machines, namely th…
Modeling of second sound in carbon nanostructures
Alexander V. Savin, Yuri S. Kivshar
The study of thermal transport in low-dimensional materials has attracted a lot of attention recently after discovery of high thermal conductivity of graphene. Here we study numeri…
Friction and mobility of carbon nanoparticles on a graphene sheet
Alexander V. Savin
It is shown using the method of molecular dynamics that the motion of carbon nanoparticles (rectangular graphene flakes, spherical fullerenes of size nm) on the surface of a…
Multistability of carbon nanotube packings on flat substrate
Alexander V. Savin
It is shown by the method of molecular dynamics using a chain model that a multilayer packaging of identical single-walled carbon nanotubes with a diameter of D>2.5 nm located on a…
Phonon interference in the array of carbon nanotubes
Valeri V. Smirnov
The dynamics of the one-dimensional array of the single-walled carbon nanotubes, which interact by van der Waals forces, is considered. The molecular dynamics simulation shows that…
Hydroxygraphene: dynamics of hydrogen bond networks
Alexander V. Savin
Using the molecular dynamics method, dynamics of hydrogen bond (HB) networks emerging on the surface of a graphene sheet during its functionalization with hydroxyl groups OH are si…
One-side surface modifications of graphene
Alexander V. Savin, Yuriy A. Kosevich
We study the dependence of mechanical conformations of graphene sheets located on flat substrates on the density of unilateral (one-side) attachment of hydrogen, fluorine or chlori…
Thermal rectifier based on asymmetric interaction of molecular chain with thermostats
Alexander V. Savin
The model of thermal rectifier based on the asymmetry of interaction of the molecular chain ends with thermostats is proposed in this work. The rectification mechanism is not relat…
Semi-inverse method in nonlinear mechanics: application to couple shell- and beam-type oscillations of single-walled carbon nanotubes
V. V. Smirnov, L. I. Manevitch
We demonstrate the application of the efficient semi-inverse asymptotic method to resonant interaction of the nonlinear normal modes belonging to different branches of the CNT vibr…
Functionalization mediates heat transport in graphene nanoflakes
Haoxue Han, Yong Zhang, Zainelabideen Y. Mijbil +9
Self-heating is a severe problem for high-power microelectronic devices. Graphene and few-layer graphene have attracted tremendous attention for heat removal thanks to their extrao…
Scroll configurations of carbon nanoribbons
Alexander V. Savin, Elena A. Korznikova, Sergey V. Dmitriev
Carbon nanoscroll is a unique topologically open configuration of graphene nanoribbon possessing outstanding properties and application perspectives due to its morphology. However…
Phonon nanocapacitor for storage and lasing of terahertz lattice waves
Haoxue Han, Baowen Li, Sebastian Volz +1
We introduce a novel ultra-compact nanocapacitor of coherent phonons formed by high-finesse interference mirrors based on atomic-scale semiconductor metamaterials. Our molecular dy…
Phonon Interference and Thermal Conductance Reduction in Atomic-Scale Metamaterials
Haoxue Han, Lyudmila G. Potyomina, Alexandre A. Darinskii +2
We introduce and model a three-dimensional (3D) atomic-scale phononic metamaterial producing two-path phonon interference antiresonances to control the heat flux spectrum. We show…
Localization of low-frequency oscillations in single-walled carbon nanotubes. Supplementary materials
Valeri V. Smirnov, Denis S. Shepelev, Leonid I. Manevitch
In this supplement we present a short derivation of dynamical equations of thin elastic shell in the framework of modified nonlinear Sanders-Koiter theory, and their relationship w…
Localization of low-frequency oscillations in single-walled carbon nanotubes
Valeri V. Smirnov, Denis S. Shepelev, Leonid I. Manevitch
New phenomenon of a weak energy localization of optical low-frequency oscillations in carbon nanotubes (CNT) is analytically predicted in the framework of continuum shell theory. T…
Classical to quantum transition of near-field heat transfer between two nanoparticles
Shiyun Xiong, Kaike Yang, Yuriy A. Kosevich +4
Heat transfer between two silica clusters is investigated by using the non-equilibrium Green's function method. In the gap range between 4 Å and three times the cluster size, the t…
Localized defect modes in graphene
Alexander V. Savin, Yuri S. Kivshar
We study the properties of localized vibrational modes associated with structural defects in a sheet of graphene. For the example of the Stone-Wales defects, one- and two-atom vaca…
Transport of fullerene molecules along graphene nanoribbons
Alexander V. Savin, Yuri S. Kivshar
We study the motion of C60 fullerene molecules (buckyballs) and short-length carbon nanotubes on graphene nanoribbons. We demonstrate that the nanoribbon edge creates an effective…
Two-phase stretching of molecular chains
Alexander V. Savin, Mikhail A. Mazo, Irina P. Kikot +1
While stretching of most polymer chains leads to rather featureless force-extension diagrams, some, notably DNA, exhibit non-trivial behavior with a distinct plateau region. Here w…
Nonlinear Breathing-like Localized Modes in C60 Nanocrystals
Alexander V. Savin, Yuri S. Kivshar
We study the dynamics of nanocrystals composed of C60 fullerene molecules. We demonstrate that such structures can support long-lived strongly localized nonlinear oscillatory modes…
Heat conductivity of DNA double helix
Alexander V. Savin, Mikhail A. Mazo, Irina P. Kikot +2
Thermal conductivity of isolated single molecule DNA fragments is of importance for nanotechnology, but has not yet been measured experimentally. Theoretical estimates based on sim…
Suppression of thermal conductivity in graphene nanoribbons with rough edges
Alexander V. Savin, Yuri S. Kivshar, Bambi Hu
We analyze numerically the thermal conductivity of carbon nanoribbons with ideal and rough edges. We demonstrate that edge disorder can lead to a suppression of thermal conductivit…
Vibrational Tamm states at the edges of graphene nanoribbons
Alexander V. Savin, Yuri S. Kivshar
We study vibrational states localized at the edges of graphene nanoribbons. Such surface oscillations can be considered as a phonon analog of Tamm states well known in the electron…