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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Maksimov, Dmitrii N., Tanner, Gregor
Заглавие : A hybrid approach for predicting the distribution of vibro-acoustic energy in complex built-up structures
Место публикации : J. Acoust. Soc. Am. - 2011. - Vol. 130, Is. 3. - С. 1337-1347. - ISSN 0001-4966, DOI 10.1121/1.3621321. - ISSN 1520-8524
Примечания : Cited Reference Count: 31. - European CommunityEuropean Commission [PIAP-GA-2008-230597]; EPSRCUK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/F069189/1] Funding Source: UKRI; Engineering and Physical Sciences Research CouncilUK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/F069189/1] Funding Source: researchfish, We thank David Chappell and Niels Sondergaard for stimulating discussions and reading the manuscript. Fruitful discussions with Brian Mace, Frank Vogel, and Cathleen Seidel are acknowledged. We have received financial support through the European Community's Seventh Framework Programme (FP7/2007-2013) under Grant No. PIAP-GA-2008-230597.
Предметные рубрики: Acoustics
Audiology & Speech-Language Pathology
Аннотация: Finding the distribution of vibro-acoustic energy in complex built-up structures in the mid-to-high frequency regime is a difficult task. In particular, structures with large variation of local wavelengths and/or characteristic scales pose a challenge referred to as the mid-frequency problem. Standard numerical methods such as the finite element method (FEM) scale with the local wavelength and quickly become too large even for modern computer architectures. High frequency techniques, such as statistical energy analysis (SEA), often miss important information such as dominant resonance behavior due to stiff or small scale parts of the structure. Hybrid methods circumvent this problem by coupling FEM/BEM and SEA models in a given built-up structure. In the approach adopted here, the whole system is split into a number of subsystems that are treated by either FEM or SEA depending on the local wavelength. Subsystems with relative long wavelengths are modeled using FEM. Making a diffuse field assumption for the wave fields in the short wave length components, the coupling between subsystems can be reduced to a weighted random field correlation function. The approach presented results in an SEA-like set of linear equations that can be solved for the mean energies in the short wavelength subsystems. (C) 2011 Acoustical Society of America. [DOI: 10.1121/1.3621321]
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Liu H., Liao L., Molokeev M. S., Guo Q., Zhang Y., Mei L.
Заглавие : A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: Synthesis, crystal structure and luminescence properties
Место публикации : RSC Adv.: Royal Society of Chemistry, 2016. - Vol. 6, Is. 29. - P.24577-24583. - ISSN 20462069 (ISSN), DOI 10.1039/c5ra23348h
Примечания : Cited References: 33. - We gratefully acknowledge the financial support by the National Natural Science Foundations of China (Grant no. 41172053), the Fundamental Research Funds for the Central Universities (Grant no. 2652013043), and Science and Technology Innovation Fund of the China University of Geosciences (Beijing).
Предметные рубрики: Energy-transfer
Diodes
LEDs
Emission
Ions
Excitation
Ce3+
Eu2+
Ln
Аннотация: A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+ was prepared through traditional high-temperature solid state technology. The crystal structures of Ca9La(PO4)5(SiO4)F2 with or without Dy3+ ions were refined by the Rietveld method. The diffuse reflection spectra, excitation spectra, emission spectra, and decay times were characterized to investigate the photoluminescence properties for application in white light-emitting diodes. The results showed that the Ca9La(PO4)5(SiO4)F2:Dy3+ phosphor could efficiently assimilate n-UV light and emit blue (∼485 nm) and yellow light (∼580 nm), originating from the f-f transitions of Dy3+. The critical Dy3+ quenching concentration (QC) was determined to be about 15 mol%, and the corresponding QC mechanism was verified to be the dipole-dipole interaction. Additionally, the emission colors of all samples were located close to the ideal white light region, and the optimal chromaticity coordinates and correlated color temperature (CCT) were determined to be (x = 0.338, y = 0.336) and 5262 K. All the above results indicate that the as-prepared Ca9La(PO4)5(SiO4)F2:Dy3+ phosphor could serve as a promising candidate for white-light n-UV-LEDs. © The Royal Society of Chemistry 2016.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fransson J., Sandalov I., Eriksson O.
Заглавие : A perfect spin-filter quantum dot system
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2004. - Vol. 16, Is. 16. - P.L249-L254. - ISSN 0953-8984, DOI 10.1088/0953-8984/16/16/L03
Примечания : Cited References: 39
Предметные рубрики: NARROW ENERGY BANDS
ELECTRON CORRELATIONS
MAGNETIC-FIELD
MAGNETOTRANSPORT
CONDUCTANCE
RESISTANCE
BARRIER
FORMULA
VALVE
LIMIT
Ключевые слова (''Своб.индексиров.''): electric potential--electron tunneling--magnetic couplings--magnetic fields--magnetic filters--transport properties--electron correlations--magnetic contacts--source-drain voltage--spin projections--semiconductor quantum dots
Аннотация: The discovery of a novel effect in the transport through a QD spin-dependently coupled to magnetic contacts is reported. For a finite range of source-drain voltages the spin projections of the current cancel exactly, resulting in a completely suppressed output current. The spin down current behaves as one normally expects whereas the spin up current becomes negative. As the source-drain voltage is increased the spin up current eventually becomes positive. Thus, tuning the source-drain voltage such that the spin up current vanishes will result in a perfect spin filter.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gluck M., Kolovsky A. R., Korsch H. J.
Заглавие : A quantum cable car for Wannier-Stark ladders
Место публикации : Phys. Lett. A. - 2000. - Vol. 276, Is. 1-4. - P.167-174. - ISSN 0375-9601, DOI 10.1016/S0375-9601(00)00656-3
Примечания : Cited References: 13
Предметные рубрики: DYNAMIC LOCALIZATION
BLOCH PARTICLE
AC FIELDS
DC
STATES
STATISTICS
LIFETIME
Ключевые слова (''Своб.индексиров.''): wannier-stark ladder--induced transitions--induced transitions--wannier-stark ladder--article--energy--oscillation--quantum mechanics--time--transport kinetics
Аннотация: This Letter studies the dynamics of transitions between the levels of a Wannier-Stark ladder induced by a resonant periodic driving. The analysis of the problem is done in terms of resonance quasienergy states, which take into account the metastable character of the Wannier-Stark states. It is shown that the periodic driving creates from a localized Wannier-Stark state an extended Bloch-like state with a spatial length varying in time as similar to t(1/2). Such a state can find applications in the field of atomic optics because it generates a coherent pulsed atomic beam. (C) 2000 Elsevier Science B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Sorokin P. B., Kuzubov A. A.
Заглавие : Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system
Место публикации : Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P.1546-1551. - ISSN 0370-1972, DOI 10.1002/pssb.200844155
Примечания : Cited References: 31
Предметные рубрики: WALLED CARBON NANOTUBES
MOLECULAR-DYNAMICS
ROOM-TEMPERATURE
STORAGE
ENERGY
THERMODYNAMICS
GRAPHITE
DENSITY
POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Fedorov A. S., Churilov G. N., Kuzubov A.A., Serjantova M.V.
Заглавие : Ab-initio investigation of hydrogen absorption by magnesium nanoparticles
Коллективы : "Carbon Nanomaterials in Clean-Energy Hydrogen Systems", national conference
Место публикации : Carbon Nanomaterials in Clean-Energy Hydrogen Systems: Proceedings of the NATO Advanced Research Workshop on Using Carbon Nanomaterials in Clean-Energy Hydrogen Systems Sudak, Crimea, Ukraine 22–28 September 2007/ red. Baranowski, B.; Zaginaichenko, S.; Schur, D.; Skorokhod, V.; Veziroglu, A.: Springer, 2008. - С. 603-610. - (SNATO Science for Peace and Security Series Subseries: NATO Science for Peace and Security Series C: Environmental Security). - ISBN 1874-6519, DOI 10.1007/978-1-4020-8898-8_75
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Sadreev A. F.
Заглавие : Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes
Место публикации : Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P.2598-2601. - ISSN 0370-1972, DOI 10.1002/pssb.200982285
Примечания : Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations.
Предметные рубрики: DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivanova N. B., Kazak N. V., Markov V. V., Ovchinnikov S. G., Rudenko V. V., Abd-Elmeguid M. M.
Заглавие : Analysis of the electrical and optical properties of VBO3 single crystals and Fe1-xVxBO3 solid solutions on the basis of a many-electron model of energy band structure
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2004. - Vol. 46, Is. 8. - P1462-1468. - ISSN 1063-7834, DOI 10.1134/1.1788779
Примечания : Cited References: 32. - One of the authors (M.M.A.) would like to thank the Deutsche Forschungsgemeinschaft (SFB608) for financial support. This study was supported by the Russian Foundation for Basic Research (project no. 03-02-16286), the program "Integration" (project no. B0017), and the program of the Division of Physical Sciences of the Russian Academy of Sciences "Strongly Correlated Electrons"
Предметные рубрики: MAGNETIC-PROPERTIES
CALCITE STRUCTURE
PHASE-TRANSITION
FERRIC BORATE
HIGH-PRESSURE
FEBO3
FE1-XCRXBO3
FERROMAGNET
MOSSBAUER
SPECTRA
Аннотация: A many-electron model of the energy band structure of VBO3 and of Fe1 - xVxBO3 solid solutions is proposed with strong electron correlations taken into account. Experimental optical absorption spectra and data on the resistivity are discussed in the framework of the suggested model. Variation in the magnetic and electronic properties of VBO3 and Fe1 - xVxBO3 under high pressure is predicted. For VBO3, a Mott-Hubbard (insulator-metal) transition is expected in the high-pressure phase. In Fe1 - xVxBO3 solid solutions, a nontrivial variation in the properties is predicted, leading to the appearance of a different magnetic state. (C) 2004 MAIK "Nauka / Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov D.G., Kitaura K., Avramov P. V., Jensen J.H.
Заглавие : Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method
Место публикации : Chem. Phys. Lett. - 2009. - Vol. 477, Is. 1-3. - P.169-175. - JUL 28. - ISSN 0009-2614, DOI 10.1016/j.cplett.2009.06.072
Примечания : Cited Reference Count: 49. - Гранты: We thank Professor M. Suenaga of Kyushu University for continuing his development of the modeling software FACIO and its FMO interface. D. G. F. and K. K. were supported by the a Grant-in- Aid for Scientific Research (JSPS, Japan) and the Next Generation SuperComputing Project, Nanoscience Program (MEXT, Japan). J.H.J. was supported by a Skou Fellowship from the Danish Research Agency (Forskningsradet for Natur og Univers).Финансирующая организация: JSPS, Japan; Next Generation SuperComputing Project; MEXT, Japan; Danish Research Agency
Предметные рубрики: DENSITY-FUNCTIONAL THEORY
GEOMETRY OPTIMIZATIONS
SEMICONDUCTOR NANOWIRES
SILICON NANOWIRES
METHOD FMO
ENERGY
SURFACES
RECONSTRUCTION
CHEMISTRY
PROTEINS
Ключевые слова (''Своб.индексиров.''): energy gradients--fragment molecular orbital methods--future applications--geometry optimization--numerical criteria--silicon nanowires--molecular modeling--molecular orbitals
Аннотация: We have developed and implemented the analytic energy gradient for the bond detachment scheme in the fragment molecular orbital method (FMO) suitable to describe solids, and applied it to the geometry optimization of a silicon nanowire at several levels of theory. In addition, we have examined in detail the effects of the particular choice of the fragmentation upon the accuracy and introduced a number of numerical criteria to characterize the errors. The established route is expected to provide guidance for future applications of FMO to surfaces, solids and nanosystems. (C) 2009 Elsevier B. V. All rights reserved.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kazak N. V., Arauzo A., Bartolome J., Molokeev M. S., Dudnikov V. A., Solovyov L., Borus A., Ovchinnikov S. G.
Заглавие : Anisotropic thermal expansion and electronic transitions in the Co3BO5 ludwigite
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2022. - Vol. 51, Is. 16. - С. 6345-6357. - ISSN 14779226 (ISSN), DOI 10.1039/d2dt00270a
Примечания : Cited References: 57. - We are grateful to the Russian Foundation for Basic Research (project no. 20-02-00559 and 21-52-12033) for supporting this paper. This work was performed within the framework of the budget project no. 0287-2021-0013 for the Institute of Chemistry and Chemical Technology SB RAS. We acknowledge the financial support from the Spanish Ministry of Economy, Industry and Competitiviness (MINECO), (Grant No. MAT2017-83468-R) and from the regional Government of Aragón (E12-20R RASMIA project)
Аннотация: The investigations of the crystal structure, magnetic and electronic properties of Co3BO5 at high temperatures were carried out using powder X-ray diffraction, magnetic susceptibility, electrical resistivity, and thermopower measurements. The orthorhombic symmetry (Sp.gr. Pbam) was observed at 300 K and no evidence of structural phase transitions was found up to 1000 K. The compound shows a strong anisotropy of the thermal expansion. A large negative thermal expansion along the a-axis is observed over a wide temperature range (T = 300–600 K) with αa = −35 M K−1 at T = 500 K with simultaneous expansion along the b- and c-axes with αb = 70 M K−1 and αc = 110 M K−1, respectively. The mechanisms of thermal expansion are explored by structural analysis. The activation energy of the conductivity decreases significantly above 700 K. Electronic transport was found to be a dominant conduction mechanism in the entire temperature range. The correlations between the thermal expansion, electrical resistivity, and effective magnetic moment were revealed and attributed to the evolution of the spin state of Co3+ ions towards the spin crossover and gradual charge-ordering transition.
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