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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Подопригора, Владимир Георгиевич, Раковская С. А.
Заглавие : Определение характеристик поверхности диэлектрических пластин с помощью рассеяния света
Место публикации : Международ. журн. прикл. и фундамент. исслед. - 2023. - № 6. - С. 59-62. - ISSN 19963955 (ISSN), DOI 10.17513/mjpfi.13554
Примечания : Библиогр.: 5
Аннотация: В работе предложен новый способ определения параметров шероховатостей и корреляционной функции (КФ) сверхгладких диэлектрических пластин. Способ основан на нахождении из экспериментальной индикатрисы рассеивания света коэффициентов разложения (КФ) в ряд по системе ортогональных функций с последующим вычислением среднеквадратичных отклонений высот неровностей поверхности σ и периода корреляции Т. Отличительными особенностями метода являются: 1) отсутствие неоднозначности, возникающей при подгонке к экспериментальной кривой рассеяния теоретических зависимостей с разными корреляционными функциями, которые сами зависят от параметров шероховатостей; 2) возможность избежать необходимости измерять индикатрису рассеяния во всей полусфере над образцом. Данный способ определения КФ и параметров шероховатости поверхности может применяться для любого типа границ раздела при соблюдении критерия Рэлея, определяющего степень неровности поверхности отражения по отношению к длине волны падающего излучения. Поэтому объектами исследования могут быть не только поверхности с нанометровыми шероховатостями, облучаемые лазерным светом, но и, например, земные покровы при их дистанционном зондировании радиосигналами навигационных спутников. Для полированных пластин кварца получены значения параметров поверхностей, близкие к аналогичным величинам, измеренным независимо на лазерном интерференционном профилометре другими авторами.The paper proposes a new method for determining the roughness parameters and the correlation function (CF) of supersmooth dielectric plates. The method is based on finding the expansion coefficients (CF) from the experimental light scattering indicatrix in a series according to a system of orthogonal functions, followed by the calculation of the standard deviations of the surface irregularity heights σ and the correlation period Т. Distinctive features of the method are: 1) the absence of ambiguity that arises when fitting theoretical dependences with different correlation functions, which themselves depend on the roughness parameters, to the experimental scattering curve; 2) the possibility of avoiding the need to measure the scattering indicatrix in the entire hemisphere above the sample. This method for determining the CF and surface roughness parameters can be used for any type of interface, subject to the Rayleigh criterion, which determines the degree of roughness of the reflection surface with respect to the wavelength of the incident radiation. Therefore, the objects of study can be not only surfaces with nanometer roughness irradiated by laser light, but also, for example, earth covers during their remote sensing by radio signals from navigation satellites. For polished quartz plates, the values of the surface parameters were obtained close to similar values measured independently on a laser interference profilometer by other authors.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Подопригора, Владимир Георгиевич
Заглавие : Определение динамических и электрооптических характеристик поверхности и ультратонких молекулярных плёнок
Место публикации : Межд. журн. прикл. и фундамент. исслед. - 2017. - № 4. Ч. 2. - 328-331. - ISSN 1996-3955
Примечания : Библиогр.: 5
Аннотация: В данной работе рассчитаны динамические и электрооптические параметры решётки поверхностного слоя кристаллов парадигалоидбензолов. Используя методы атом-атомных потенциалов, Раман-рассеяния и модель пластины, исследован спектр фононов в объёме и на поверхности. Получено, что: 1) частоты решеточных колебаний уменьшаются при переходе к кристаллической поверхности; 2) решеточные колебания локализованы практически в одном-двух монослоях; 3) ориентационные и трансляционные колебания на поверхности сильно смешиваются. Локальное поле f cвязывает микро и макропараметры упорядоченной молекулярной среды. В данной работе вычислены значения тепзоров f, эффективной молекулярной поляризуемости γ, структурного фактора L, также как диэлектрической восприимчивости χ в моно и мультислоях. Анизотропия тепзоров f, γ, L и χ на поверхности в слое значительно меняется. Локальное поле индуцирует изменение макроскопичекого диэлектрического отклика кристалла и плёнки. Поэтому оптические и электрические параметры, такие как коэффициенты отражения, эллипсометрические, комбинационного рассеяния света, поверхностной проводимости – зависят от направления даже для изотропного кристалла. Результаты расчётов сравниваются с экспериментом по Раман-рассеянию и измерению коэффициентов преломления кристаллов и тонких слоёв. Хорошее согласие между данными вычисления и эксперимента позволяют надеяться на дальнейшее использование этих методов для исследования других интересных для практики объектов.The lattice dynamics and electro-optical parameters of surfaces layer of paradihaloid-benzenes crystals have been calculated in this work. Phonon spectrum in the bulk and on the surface of the crystal is investigated using the methods of atom-atom potential, Raman scattering and slab-model. It’s found: 1) the lattice vibration frequencies decrease at the transition to the crystal surface; 2) surface vibration are localized practically in one or two surface monolayers; 3) oriental and translation vibrations are strongly mixed at the surface. The local field coefficients tensor f connects micro- and macroparameters of the ordered molecular media. In this work we calculate f tensor values, effective polaritability γ of molecules, structural factor tensor as well as the dielectric susceptibility χ of mono- and multilayers. The anisotropy of f, γ, L, χ tensors on the crystal surface and into thin film is significantly changing. Local field effect induced a change in the macroscopic dielectric response of crystal and film. Thats why the optical and electrical parameters such as a reflectance, Raman scattering, ellipsometric coefficient, surface conductivitice depend on directons even for cubical crystals. The results of calculation are compared with experimental Raman scattering and the refraction indexes for crystals and thin films. The good agreement between calculation and experiment date allow to hope on further using of this methods for the investigation other interest objects.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhlin Y., Romanchenko A., Vorobyev S., Karasev S., Volochaev M. N., Kamenskiy E., Burdakova E.
Заглавие : Ultrafine particles in ground sulfide ores: A comparison of four Cu-Ni ores from Siberia, Russia
Место публикации : Ore Geol. Rev.: Elsevier, 2017. - Vol. 81, Part 1. - P.1-9. - ISSN 0169-1368, DOI 10.1016/j.oregeorev.2016.10.024
Примечания : Cited References: 64. - This research was supported by the Russian Science Foundation, grant no. 14-17-00280.
Ключевые слова (''Своб.индексиров.''): cu-ni sulfide ores--ultrafine particles--mineral surfaces--colloids--beneficiation--environment
Аннотация: Nano-, submicro- and micrometer mineral particles may have an important role in beneficiation of metal ores and environmental impact, but their origin and characteristics are poorly understood. Here, we report data for the yield and the composition of fine fractions, and surfaces of several ground Cu-Ni sulfide ores studied using laser diffraction, scanning electron microscopy and energy dispersive X-ray analysis, X-ray photoelectron spectroscopy. Colloidal particles were characterized using dynamic light scattering, zeta-potential measurement, transmission electron microscopy and electron diffraction. The production of fines by dry milling was found to increase from about 0.01 vol.% to 0.2 vol.% for submicrometer particles and from ~ 0.5 vol.% to about 1.5 vol.% for particulate material less than 5 μm in the following order: Noril'sk disseminated low sulfide ore ≤ Noril'sk Cu-rich sulfide ore < Noril'sk valleriite ore < Kingash ore. For wet milling, the yield may be several times higher. Both surfaces of the milled ores and colloids were enriched in O, Mg, Si (largely as serpentine slimes) and depleted in sulfur, basic metals and iron, but colloidal valleriite, chalcopyrite, and oxidized pyrrhotite were found in the respective supernatants too. Typically, the colloidal particles form aggregates with an average hydrodynamic diameter of about 1 μm and a smaller number of ~ 5 μm species, except for valleriite ore, which exhibits a single size distribution peak at 2.7 μm. Zeta-potential, which characterizes the electric charge of the particles and dispersion stability of colloids, changed from − 25 mV for the low sulfide ore to about 0 mV for valleriite ore, and to + 15 mV for Kingash ore. Poor flotation recovery of metal from Kingash ore and Noril'sk valleriite ore is suggested to be due to both the large quantities and positive charge of hydrophilic ultrafine serpentine and/or magnesium hydroxide minerals. Resistance to oxidation and hence stability against aggregation of copper-bearing sulfide colloids in waste waters is expected to result in a negative impact on the environment.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Sadreev A. F.
Заглавие : Thermoactivated transport of molecules H-2 in narrow single-wall carbon nanotubes
Коллективы : RFBR [0602-16132]
Разночтения заглавия :авие SCOPUS: Thermoactivated transport of molecules H 2 in narrow single-wall carbon nanotubes
Место публикации : Eur. Phys. J. B: SPRINGER, 2009. - Vol. 69, Is. 3. - P363-368. - ISSN 1434-6028, DOI 10.1140/epjb/e2009-00152-1
Примечания : Cited References: 40. - We are grateful to S. G. Ovchinnikov for discussions. This work has been supported by RFBR grant 0602-16132.
Предметные рубрики: DIFFUSION
NANOPORES
ENERGY
MOTION
FLUIDS
Ключевые слова (''Своб.индексиров.''): hydrogen molecule--inner potential--lennard-jones potential--periodic potentials--plane wave--potential surfaces--single-wall carbon nanotubes--thermal fluctuations--tube walls--carbon nanotubes--hydrogen--molecules--single-walled carbon nanotubes (swcn)
Аннотация: By use both of the plane wave DFT and the empirical exp-6 Lennard-Jones potential methods we calculate the inner potential in narrow single-wall carbon nanotubes (SWCNT) (6, 0), (7, 0) and (3, 3) which affects the hydrogen molecules. The inner potential forms a goffered potential surface and can be approximated as V(z,r,phi)a parts per thousand 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. The rate hoppings is substantially depends on temperature because of thermal fluctuations of tube wall.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P.B., Kvashnin D.G., Kvashnin A.G., Avramov P. V., Chernozatonskii L.A.
Заглавие : Theoretical study of elastic properties of SiC nanowires of different shapes
Место публикации : J. Nanosci. Nanotechnol. - 2010. - Vol. 10, Is. 8. - P.4992-4997. - ISSN 1533-4880, DOI 10.1166/jnn.2010.2424. - ISSN 1533-4899
Примечания : Cited Reference Count: 49. - Гранты: This work was partially supported by JSPS-RFBR collaborative grant 09-02-92107. The electronic structure calculations have been performed on the Joint Supercomputer Centre of the Russian Academy of Sciences. One of the authors (Pavel V. Avramov) acknowledges the encouragement of Professor K. Morokuma, research leader of Fukui Institute, Kyoto University and Dr. Alister Page for kind help and support. The geometry of all structures was visualized by ChemCraft software.SUP53/SUPФинансирующая организация: JSPS-RFBR [09-02-92107]; Fukui Institute, Kyoto University
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
SILICON-CARBIDE
THERMAL-STABILITY
CARBON NANOTUBES
NANORODS
GROWTH
SURFACES
NANOCRYSTALS
POTENTIALS
CONSTANTS
Ключевые слова (''Своб.индексиров.''): silicon carbide--nanowires--elastic properties--dft--molecular mechanics--dft--elastic properties--molecular mechanics--nanowires--silicon carbide--atomic structure--cubic phasis--dft--effective size--elastic properties--sic nanowire--silicon carbide nanowires--theoretical study--wire geometries--young's modulus--crystal atomic structure--density functional theory--elastic moduli--elasticity--molecular mechanics--nanowires--wire--silicon carbide
Аннотация: The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular mechanics. Upon surface relaxation, surface reconstruction led to the splitting of the wire geometry, forming both hexagonal (surface) and cubic phases (bulk). The behavior of the pristine SiC wires under compression and stretching was studied and Young's moduli were obtained. For Y-shaped SiC nanowires the effective Young's moduli and behavior in inelastic regime were elucidated.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Zakharova E. V., Nekrasov I. A., Pchelkina Z. V., Ovchinnikov S. G.
Заглавие : The Fermi surface and the role of electronic correlations in Sm2-xCexCuO4
Коллективы :
Разночтения заглавия :авие SCOPUS: The Fermi surface and the role of electronic correlations in Sm 2-xCexCuO4
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2010. - Vol. 22, Is. 1. - Ст.15701. - ISSN 0953-8984, DOI 10.1088/0953-8984/22/1/015701
Примечания : Cited References: 35. - We would like to thank A A Kordyuk and I Eremin for useful discussions. The authors acknowledge support from RFBR (grants 08-02-00021, 10-02-00662, 08-02-91200 and 07-02-00226), the RAS programs on 'Low temperature quantum phenomena', 'Quantum physics of condensed matter' and 'Strongly correlated electrons solids', President of Russia (grants MK-614.2009.2 (IN) and MK-3227.2008.2 (ZP)), Scientific School (grant SS-1929.2008.2), Interdisciplinary UB-SB RAS project, Dynasty Foundation (ZP) and Russian Science Support Foundation (IN).
Предметные рубрики: T-C SUPERCONDUCTOR
IN-GAP STATES
SPIN CORRELATIONS
BAND
LA2-XSRXCUO4
EXCITATIONS
TRANSITION
EVOLUTION
SM2CUO4
OXIDES
Ключевые слова (''Своб.индексиров.''): antiferromagnetics--doping evolution--electron-doped--electronic correlation--emery model--experimental data--generalized tight bindings--high-t--hybrid scheme--magnetic orders--spin-liquid--tight binding model--two-regime--antiferromagnetism--cerium--cerium compounds--copper oxides--corundum--doping (additives)--fermi surface--fermions--tin--surfaces
Аннотация: Using a LDA + GTB (local density approximation + generalized tight-binding) hybrid scheme we investigate the band structure of the electron-doped high-T-c material Sm2-xCexCuO4. Parameters of the minimal tight-binding model for this system (the so-called three-band Emery model) were obtained within the NMTO (Nth-order muffin-tin orbital) method. The doping evolution of the dispersion and the Fermi surface in the presence of electronic correlations was investigated in two regimes of magnetic order: short-range (spin-liquid) and long-range (antiferromagnetic metal). Each regime is characterized by the specific topologies of the Fermi surfaces and we discuss their relation to recent experimental data.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volkova I. R., Tyryshkina L. E., Volochaev M. N., Zaloga A. N., Shabanova K. A., Ovchinnikov A. V., Lyamkin A. I.
Заглавие : The effect of aluminum-oxide powders on the structure and properties of copper electrodeposited composite coatings
Место публикации : Prot. Met. Phys. Chem. Surf. - 2023. - Vol. 59, Is. 1. - P.71-75. - ISSN 20702051 (ISSN), DOI 10.1134/S2070205122700022. - ISSN 2070206X (eISSN)
Примечания : Cited References: 9
Аннотация: Copper electrodeposited composite coatings containing two types of aluminum-oxide powders with different dispersities (alumina Al2O3-1 and electroexplosive aluminum-oxide nanopowder Al2O3-2) are obtained during the work. The studies show that introducing the powders leads to a change in the microstructure of the composites and a change in the grain growth principles during the formation of the coatings. Refinement and ordering of the grain structure of the coatings occurs and twinning defects and texture are formed. The change in the formation of the microstructure of the composites leads to a change in some operational characteristics: an increase in the microhardness (by 10% in the composites with the addition of alumina and by more than 30% in the coatings with electroexplosive aluminum oxide) and ultimate tensile strength (by 20% in the composites with Al2O3-1 and almost 1.5-fold in the samples with Al2O3-2).
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Avramov P. V., Sakai S., Kuzubov A.A., Entani S., Matsumoto Y., Naramoto H.
Заглавие : Structure Potential Energy Surfaces and Electronic States of Graphene- and Multigraphene-based 2D Extended Complex Nanocomposites
Коллективы : "Advanced Carbon Nanostructures", Joint International Conference
Место публикации : Joint International Conference "Advanced Carbon Nanostructures" (ACN 2011): Abstracts. - 2011. - Ст.P1.02. - С. 71
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Melchakova I., Nikolaeva K. M., Kovaleva E. A., Tomilin F. N., Ovchinnikov S. G., Tchaikovskaya O. N., Avramov P. V., Kuzubov A. A.
Заглавие : Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4
Место публикации : Appl. Surf. Sci. - 2021. - Vol. 540. - Ст.148223. - ISSN 01694332 (ISSN), DOI 10.1016/j.apsusc.2020.148223
Примечания : Cited References: 39. - The authors would like to thank Joint Supercomputer Center of RAS, Moscow; Center of Equipment for Joint Use of Siberian Federal University, Krasnoyarsk; and Information Technology Centre, Novosibirsk State University for providing the access to their supercomputers. Publication was supported by Project FSWM-2020-0033 of Russian Ministry of Science and Education
Аннотация: First-row transition metal (TM) atoms adsorption and migration on nanoporus 2D materials like bigraphene with double vacancies and g-C3N4 as the active sites for TM nanocluster's growth was studied within the framework of density functional theory. Both thermodynamic and kinetic aspects of composite synthesis were discussed. It was found that potential barriers of adatom's migration from bigraphene's outer surface to the interlayer space through the double vacancy are rather low values. High potential barriers of TM migration along the carbon plane prevents TM clusterization due to enhanced chemical activity of double vacancies which gives a possibility to capture the surface adatoms. As was shown for the monolayer graphene, the decrease of vacancies concentration reduces the barrier of adatom migration along the surface while the second graphene sheet in bigraphene stabilizes the structure. The behavior of TM-atom regarding g-CN2 and g-CN1 nanosheets was investigated. Potential energy surfaces were obtained and discussed. The migration barriers were found surmountable that means high probability of migration of TM adatoms to global minima and formation of TM vacancies. Comparison of barriers values with Boltzmann factor demonstrated that just standalone temperature fluctuations cannot initiate structural transitions. The properties of designed structures can be of interest of catalysts and biosensors for biomedical applications.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhinin Y. V.
Заглавие : Phase transitions in self-assembled monolayers of alkanethiols containing the polar group
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 1998. - Vol. 87, Is. 1. - P115-122. - ISSN 1063-7761, DOI 10.1134/1.558645
Примечания : Cited References: 38
Предметные рубрики: ORGANIZED MOLECULAR ASSEMBLIES
ALKYL THIOL MONOLAYERS
STRUCTURAL CHARACTERIZATION
DYNAMICS SIMULATION
LANGMUIR MONOLAYER
SURFACES
GOLD
FILMS
AU(111)
MODEL
Аннотация: Equilibrium states of the system of self-assembled monolayers (SAMs) of n-alkanethiol molecules HS(CH2)(n-1)(X) with polar group X chemiabsorbed on the Au(111) crystal surface are considered. The couplings between the atoms (C, H) of the n-alkanethiols are approximated by the Lennard-Jones potential. The couplings between the n-alkanethiols and the crystal surface are approximated by the 12-3 potential. The interactions of polar groups and the self-images with the metal substrate are taken into consideration. The phase-transition temperatures, the structural order and equilibrium tilt, and the twist and azimuthal angles of the macromolecules, which depend on the dipole moments, are found. (C) 1998 American Institute of Physics.
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