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Перегляд Functional Materials, 2013, том 20 за темою "Modeling and simulation"

Репозиторій DSpace/Manakin

Перегляд Functional Materials, 2013, том 20 за темою "Modeling and simulation"

Сортувати за: Порядок: Результатів:

  • Band structure of LaPO₄ 
    Syrotyuk, S.V.; Chornodolskyy, Ya.M.; Vistovskyy, V.V.; Voloshinovskii, A.S.; Gektin, A.V. (Functional Materials, 2013)
    The calculations of band structure of LaPO₄ crystal of monoclinic and hexagonal lattice symmetry is performed using the PAW formalism and taking into account the strong local correlations in the PBE0 GGA approximation. The ...
  • Chemical bond deviation in group VI hydrids 
    Okhrimenko, B.A.; Yushko, O.A.; Yablochkova, K.S. (Functional Materials, 2013)
    Ab initio calculations of the chemical bond deviation in molecules were carried out using Gaussian 09 software. The results correlate with the estimations of the deviation angle obtained earlier using experimental data.
  • Dipole-exchange spin waves in a periodically layered ferromagnetic nanotube 
    Gorobets, Y.I.; Kulish, V.V. (Functional Materials, 2013)
    Spin waves in a periodically layered ferromagnetic nanotube (nanotube magnetophotonic crystal) are investigated. External magnetic field is considered to be applied parallel to the nanotube symmetry axis. The linearized ...
  • Influence of nonlinear dissipation and external perturbations on transition scenarios to the chaos in the Lorenz-Haken system 
    Dvornichenko, A.V. (Functional Materials, 2013)
    We studied an influence of nonlinear dissipation and external perturbations on transition scenarios to the chaos in the Lorenz-Haken system. It was shown that variation in the values of external potential parameters leads ...
  • Modelling of periodic heterostructures based on tin and phosphorus chalcogenides 
    Klevets, V.Yu.; Savchenko, N.D.; Shchurova, T.N.; Opachko, I.I.; Popovic, K.O. (Functional Materials, 2013)
    In terms of tight-binding approximation and pseudopotential theory the following energy parameters for binary tin and phosphorus chalcogenides: band gap, electron affinity energy and energy position of Fermi level have ...
  • Pecularities of nanoparticle reflection from a barrier 
    Ratner, M.A.; Tur, A.V.; Yanovsky, V.V. (Functional Materials, 2013)
    This work is devoted to molecular dynamics modelling of collision of nanoparticle having a small number of degrees of freedom with a structureless plain. It is established that velocity of nanoparticle after collision can ...

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