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    A temperature-dependent dielectric model for thawed and frozen organic soil at 1.4 GHz / V. L. Mironov [et al.] // IEEE J. Sel. Top. Appl. Earth Observ. Remote Sens. - 2015. - Vol. 8, Is. 9. - P. 4470-4477, DOI 10.1109/JSTARS.2015.2442295. - Cited References:19. - This work was supported in part by a grant from the Russian Science Foundation under Project 14-17-00656 . - ISSN 1939-1404. - ISSN 2151-1535
   Перевод заглавия: Температурно-зависимая диэлектрическая модель талой и мерзлой органической почвы на частоте 1,4 ГГц

РУБ Engineering, Electrical & Electronic + Geography, Physical + Remote
Рубрики:
moisture retrieval algorithm
active layer
validation
Кл.слова (ненормированные):
Dielectric constant -- dielectric losses -- dielectric measurement -- L-band -- modeling -- soil moisture -- soil properties
Аннотация: A single-frequency dielectric model for thawed and frozen Arctic organic-rich (80%-90% organic matter) soil was developed. The model is based on soil dielectric data that were measured over the ranges of volumetric moisture from 0.007 to 0.573 cm3/cm3, dry soil density from 0.564 to 0.666 g/cm3, and temperature from 25°C to -30°C (cooling run), at the frequency of 1.4 GHz. The refractive mixing model was applied to fit the measurements of the soil's complex refractive index (CRI) as a function of soil moisture, with the values of temperature being fixed. Using the results of this fitting, the parameters of the refractive mixing model were derived as a function of temperature. These parameters involve the CRIs of soil solids as well as bound, transient, and free soil water components. The error of the dielectric model was evaluated by correlating the predicted complex relative permittivity (CRP) values of the soil samples with the measured ones. The coefficient of determination (R2) and the root-mean-square error (RMSE) were estimated to be R2 = 0.999, RMSE = 0.27 and R2 = 0.993, RMSE = 0.18 for the real and imaginary parts of the CRP, respectively. These values are in the order of the dielectric measurement error itself. The proposed dielectric model can be applied in active and passive remote-sensing techniques used in the areas with organicrich soil covers, mainly for the SMOS, SMAP, and Aquarius missions.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.
Natl Ctr Sci Res, Lab CESBIO UMR, F-31404 Toulouse 9, France.

Доп.точки доступа:
Mironov, V. L.; Миронов, Валерий Леонидович; Kerr, Y. H.; Kosolapova, L. G.; Косолапова, Людмила Георгиевна; Savin, I. V.; Савин, Игорь Викторович; Muzalevskiy, K. V.; Музалевский, Константин Викторович; Russian Science Foundation [14-17-00656]
}
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Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project No. NSh-2886.2014.2), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
LONG CYCLE LIFE
   CORE-LEVEL SPECTROSCOPY
   CARBON-COATED SILICON
   AUGMENTED-WAVE METHOD
   ION BATTERIES
   MOLECULAR-DYNAMICS
   INTERATOMIC POTENTIALS
   ELECTRONIC-STRUCTURE
   CRYSTALLINE SILICON
   SI(100)2X1 SURFACE
Кл.слова (ненормированные):
Li-ion batteries -- Silicon -- Surface diffusion -- Li diffusion -- Density functional theory -- Molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
}
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    Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method / D. G. Fedorov [et al.] // Chem. Phys. Lett. - 2009. - Vol. 477, Is. 1-3. - P. 169-175, DOI 10.1016/j.cplett.2009.06.072. - 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 . - JUL 28. - ISSN 0009-2614
Рубрики:
DENSITY-FUNCTIONAL THEORY
   GEOMETRY OPTIMIZATIONS
   SEMICONDUCTOR NANOWIRES
   SILICON NANOWIRES
   METHOD FMO
   ENERGY
   SURFACES
   RECONSTRUCTION
   CHEMISTRY
   PROTEINS
Кл.слова (ненормированные):
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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Держатели документа:
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark
Kyoto Univ, Grad Sch Pharmaceut Sci, Sakyo Ku, Kyoto 6068501, Japan

Доп.точки доступа:
Fedorov, D.G.; Kitaura, K.; Avramov, P. V.; Аврамов, Павел Вениаминович; Jensen, J.H.
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    Anomalous mechanical materials squeezing three-dimensional volume compressibility into one dimension / X. Jiang, M. S. Molokeev, L. Dong [et al.] // Nat. Commun. - 2020. - Vol. 11, Is. 1. - Ст. 5593, DOI 10.1038/s41467-020-19219-5. - Cited References: 49. - The authors acknowledge Zhuohong Yin for useful discussions and the experimental time provided by the 4W2 beam line of Beijing Synchrotron Radiation Facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants 51702330, 11974360, 51872297, 51890864, 21975132, and 21991143), the Youth Innovation Promotion Association in CAS (Grant 2017035 for X.J.), Young Elite Scientist Sponsorship Program by CAST (YESS), and Fujian Institute of Innovation (FJCXY18010201) in CAS . - ISSN 2041-1723
   Перевод заглавия: Аномальные механические материалы, преобразующие трехмерную объемную сжимаемость в одномерную
Кл.слова (ненормированные):
high pressure -- mechanical property -- one-dimensional modeling -- precision -- pressure effect -- stress-strain relationship -- three-dimensional modeling
Аннотация: Anomalous mechanical materials, with counterintuitive stress-strain responding behaviors, have emerged as novel type of functional materials with highly enhanced performances. Here we demonstrate that the materials with coexisting negative, zero and positive linear compressibilities can squeeze three-dimensional volume compressibility into one dimension, and provide a general and effective way to precisely stabilize the transmission processes under high pressure. We propose a “corrugated-graphite-like” structural model and discover lithium metaborate (LiBO2) to be the first material with such a mechanical behavior. The capability to keep the flux density stability under pressure in LiBO2 is at least two orders higher than that in conventional materials. Our study opens a way to the design and search of ultrastable transmission materials under extreme conditions.

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Держатели документа:
Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan, 430074, China
Laboratory of Space Astronomy and Technology, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100101, China
University of Chinese Academy of Sciences, Beijing, 100049, China
Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049, China
Institute of Deep-sea Science and Engineering, Chinese Academy of Sciences, Sanya, 572000, China
Institute of Mechanics, Chinese Academy of Sciences, Beijing, 100190, China
School of Materials Science and Engineering; TKL of Metal and Molecule-Based Material Chemistry, Nankai University, Tianjin, 300350, China

Доп.точки доступа:
Jiang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Dong, L.; Dong, Z.; Wang, N.; Kang, L.; Li, X.; Li, Y.; Tian, C.; Peng, S.; Li, W.; Lin, Z.
}
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Aplesnin, S. S.
Modeling a dimer state in CuGeO3 in the two-dimensional anisotropic Heisenberg model with alternated exchange interaction / S. S. Aplesnin // J. Exp. Theor. Phys. - 1997. - Vol. 85, Is. 6. - P. 1196-1203, DOI 10.1134/1.558393. - Cited References: 33 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
SPIN-PEIERLS TRANSITION
   HIGH MAGNETIC-FIELDS
   COMPOUND CUGEO3
   GROUND-STATE
   SYSTEMS
   NEUTRON
Аннотация: The two-dimensional Heisenberg spin-1/2 model with alternated exchange interaction along the c axis and an anisotropic distribution of the exchange interaction in the lattice, J(b)/J(c)=0.1, is examined. A quantum Monte Carlo method is used to calculate the phase diagrams of the antiferromagnet, the dimer state in a plane, the value of the alternation delta of the exchange interaction, and the anisotropy Delta=1-J(xy)/J(z) of the exchange interaction, Delta similar to delta(0.58(6)). The following characteristics are calculated for Delta=0.25: the dependence of the temperature of the dimer-state-paramagnet transition on the alternation of the exchange interaction, T-c(delta)=0.55(4(delta-0.082(6))(0.50(3)), the singlet-triplet energy gap, and the dependence of the magnetization on the external field for some values of delta. The value of the exchange interaction, J(c)=127 K, the alternation of the exchange interaction, delta=0.11J(c), and the correlation radius along the c axis, xi(c) approximate to 28c, are determined. Finally, it is found that the temperature dependence of the susceptibility and the specific heat are in good agreement with the experimental data. (C) 1997 American Institute of Physics. [S1063-7761(97)01912-4].

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Аплеснин, Сергей Степанович
}
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Applying joint theoretical experimental research to aptamer modeling / I. A. Shchugoreva, P. V. Artyushenko, F. N. Tomilin [et al.] // Sib. Med. Rev. - 2021. - Vol. 2021, Is. 2. - P. 105-106 ; Сиб. мед. обозрение, DOI 10.20333/2500136-2021-2-105-106. - Cited References: 4 . - ISSN 1819-9496
Кл.слова (ненормированные):
LC-18 -- DNA aptamer -- lung adenocarcinoma -- SAXS -- DFTB3
Аннотация: The aim of the research. In this work we studied the structure of LC-18 DNA aptamer, which exhibits specific binding to lung adenocarcinoma cells. Obtain-ing the 3D structure of the aptamer is necessary for understanding the mechanism of binding of the aptamer to the target. Therefore, the aim of the research was modeling of the LC-18 aptamer spatial structure using combination of theoretical methods: DNA folding tools, quantum-chemical calculations and molecular dynamic simulations. Material and methods. The secondary structure of the LC-18 aptamer was predicted by using OligoAnalyzer and MFold online software under the conditions typical small-angle X-ray scattering (SAXS) experiment. The molecular modeling of the aptamer was carried out using the Avogadro program. For prediction of the structure two computational methods were used: quantum-mechanical method with third-order density-functional tight-binding (DFTB3) and molecular dynamics (MD) with force fields. Results. In this paper it was shown that molecular simulations can predict structures from the SAXS experiments. OligoAnalyzer and MFold web servers have been used to generate a set of several likely models. However, more accurate calculations have showed that these models do not predict the relative importance of isomers. Meanwhile, application of quantum-chemical and molecular dynamics calculations have showed reliable molecular structures which have a small deviations from the experimental SAXS curves. Conclusion. This study demonstrates the approach for modeling 3D structures of DNA-aptamers in solution using both experimental and theoretical meth-ods. It could be very helpful in designing more efficient aptamers based on results obtained from molecular simulations.

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Держатели документа:
Laboratory for Digital Controlled Drugs and Theranostics, Federal Research Center "Krasnoyarsk Science Center SB RAS”, Krasnoyarsk, 660036, Russian Federation
Department of Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Physics of Magnetic Phenomena, Kirensky Institute of Physics, Krasnoyarsk, 660012, Russian Federation
Nanoscience Center and Department of Chemistry, University of Jyvaskyla, Jyvaskyla, 40014, Finland
Department of Chemistry, Lomonosov Moscow State University, Moscow, 119234, Russian Federation

Доп.точки доступа:
Shchugoreva, I. A.; Artyushenko, P. V.; Tomilin, F. N.; Morozov, D. I.; Mironov, V. A.; Moryachkov, R. V.; Морячков, Роман Владимирович; Kichkailo, A. S.

}
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Belyaev, B. A.
Micromagnetic modeling of static and dynamic properties of ferromagnetic/antiferromagnetic bilayer / B. A. Belyaev, A. V. Zotov, P. N. Solovev // Int. Sib. Conf. on Control and Communicat. : Proc. - 2013. - Conference code: 102462. Cт. 6693573, DOI 10.1109/SIBCON.2013.6693573. - Cited References: 13 . - ISSN 978-1-479

РУБ Engineering, Electrical & Electronic + Telecommunications
Рубрики:
EXCHANGE-BIAS
DEPENDENCE
Кл.слова (ненормированные):
absorption spectrum -- exchange bias -- micromagnetic modeling
Аннотация: Static and dynamic properties of ferromagnetic (F) antiferromagnetic (AF) bilayer have been studied by using micromagnetic calculations. The reasonable value of exchange bias field has been obtained. In addition, we have shown the strong dependence of a resonance frequency F/AF structure on an angle between an external magnetic field and an easy axis of the bilayer.

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Доп.точки доступа:
Zotov, A. V.; Solovev, P. N.; Беляев, Борис Афанасьевич; International Siberian Conference on Control and Communications(10 ; 2013 ; Sept. 12-13 ; Krasnoyarsk)
}
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    Bukhanov, E. R.
    Modeling an optical properties of plant epiticular wax / E.R. Bukhanov, Y.L. Gurevich, D.A. Shabanov // Информационные технологии и нанотехнологии (ИТНТ-2020) : сб трудов. - 2020. - P224-231. - Библиогр.: 38
   Перевод заглавия: Моделирование оптических свойств эпитикулярного воска растений
Аннотация: Wax is found on the leaves almost of all plants. Its physicochemical and protective properties are widely discussed in the scientific literature. In the presented work, the influence of the structure of wax on the optical properties in wheat leaves and needles of blue spruce has been revealed for the first time. Long-period ordering was established. The structural elements are nanotubes up to several microns in length and about 150 nm in diameter. The paper presents the influence of a long-period structure on the optical properties and local characteristics of light waves, including the transmission spectrum, the density of photon states, as well as fluorescence spectra and polarization microscopy. Using modern mathematical tools, the main spectral and optical characteristics were calculated using the example of the wax cover of blue spruce and glaucas wheat. Based on calculations that establish the relationship between the structural, spectral and optical properties, the influence of wax structures on the process of photosynthesis was revealed.

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Доп.точки доступа:
Gurevich, Юрий Леонидович; Shabanov, D. A.; Шабанов, Дмитрий Александрович; Буханов, Евгений Романович; "Информационные технологии и нанотехнологии", Международная конференция и молодежная школа(6 ; 2020 ; ; Самара (on-line)); Самарский национальный исследовательский университет им. акад. С.П. Королева; Институт систем обработки изображений РАН
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Collective resonances in hybrid photonic-plasmonic nanostructures / A. E. Ershov, R. G. Bikbaev, I. L. Rasskazov [et al.] // J. Phys.: Conf. Ser. - 2020. - Vol. 1461, Is. 1. - Ст. 012046DOI 10.1088/1742-6596/1461/1/012046. - Cited References: 11. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science (Grant No. 18-42-240013); A.E. thanks the grant of the President of Russian Federation (agreement 075-15-2019-676)
Кл.слова (ненормированные):
Hybrid systems -- Plasmonics -- Time domain analysis -- 1-D photonic crystal -- Defect layers -- Nanodisks -- Periodic arrays -- Plasmonic nanostructures -- Rayleigh anomalies -- Spectral position -- Theoretical modeling -- Finite difference time domain method
Аннотация: We present the theoretical model to predict the spectral position of Rayleigh anomalies emerged in hybrid system consisting of periodic array of plasmonic nanodisks embeded into the middle of defect layer of 1D photonic crystal (PhC). The spectral positions of these new emerged Rayleigh anomalies agree well with the results of exact simulations with Finite-Difference Time-Domain (FDTD) method.

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Держатели документа:
Institute of Computational Modeling SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Siberian State University of Science and Technology, Krasnoyarsk, 660014, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Optics, University of Rochester, Rochester, NY 14627, United States

Доп.точки доступа:
Ershov, A. E.; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Rasskazov, I. L.; Gerasimov, V. S.; Timofeev, I. V.; Тимофеев, Иван Владимирович; Polyutov, S. P.; Karpov, S. V.; Карпов, Сергей Васильевич; International Conference on Metamaterials and Nanophotonics(4th ; 15 - 19 July 2019 ; St. Petersburg, Russian Federation)
}
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10.

    Computation of effective elastic constants in anisotropic microseamy rocks / G. T. Prodaivoda [и др.] // Geol. Geofiz. - 2000. - Vol. 41, Is. 3. - P. 436-449. - Cited References: 25 . - ISSN 0016-7886
Рубрики:
WAVE-PROPAGATION
   SYMMETRY
Кл.слова (ненормированные):
anisotropy -- modeling -- orientation of microcracks -- elastic waves
Аннотация: A generalized method of conditional moments for computation of effective elastic constants of anisotropic rocks with spatially oriented microcracks is considered. The method involves an additional operation of averaging of known solution data for a modeled rock of orthorhombic structure with ellipsoidal microcracks whose semiaxes are oriented along the coordinate axes. The averaging is performed using the distribution function of rock microcrack orientations, which is expanded into a series in terms of generalized spherical functions. The expansion coefficients are determined by an experiment. In calculating the effective elastic constants of anisotropic rocks, there are no constraints on the concentration of microcracks. We have studied the parameters of azimuthal anisotropy of elastic-wave velocities in modeled amphibolites with ellipsoidal hornblende grains oriented along the coordinate axes and with three-planar and spatially oriented systems of microcracks. The obtained results agree with experimental data of ultrasonic determinations of elastic constants for amphibolite samples.

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Публикация на русском языке Метод расчета эффективных упругих постоянных в анизотропных микротрещиноватых горных породах [Текст] / Г. Т. Продайвода [и др.] // Геол. и геофиз. - 2000. - Т. 41 № 3. - С. 436-449

Держатели документа:
Univ Kiel, UA-252022 Kiev, Ukraine
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
Natl Acad Sci Ukraine, Inst Mech, UA-252017 Kiev, Ukraine
ИФ СО РАН

Доп.точки доступа:
Prodaivoda, G. T.; Продайвода, Георгий Трофимович; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Vyzhva, S. A.; Nazarenko, L. V.
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11.

Domain structure and magnetization reversal in multilayer structures consisting of thin permalloy films separated with nonmagnetic interlayers / B. A. Belyaev, N. M. Boev, A. V. Izotov, P. N. Solovev // Russ. Phys. J. - 2021. - Vol. 64, Is. 6. - P. 1160-1167, DOI 10.1007/s11182-021-02436-w. - Cited References: 30. - This work was financially supported by the Ministry of Science and Higher Education under agreement No. 075-11-2019-054 November 22, 2019 . - ISSN 1064-8887. - ISSN 1573-9228

РУБ Physics, Multidisciplinary
Рубрики:
MICROMAGNETIC CALCULATION
   MAGNETOMETER
   SIMULATION
   NOISE
Кл.слова (ненормированные):
micromagnetic modeling -- multilayer magnetic film -- domain structure -- hysteresis loop -- microstrip resonator -- magnetic field sensor
Аннотация: Using numerical micromagnetic modeling, we have investigated the development of domain structure and magnetization reversal in multilayer thin-film structures. The permalloy (Ni80Fe20) magnetic layers had the inplane uniaxial and perpendicular magnetic anisotropy. We found that as the thickness of nonmagnetic interlayers decreases, the in-plane configuration of magnetic moments in the permalloy layers transforms from a single domain state to stripe domains, which is caused by the increase of magnetostatic interaction between layers. In structures with "thick" interlayers, even weak magnetostatic interaction enforces the neighboring single domain permalloy layers to have opposite orientations of magnetic moments. The saturation field of such samples increases linearly with the number of layers. By analyzing the dynamic characteristics of multilayers, we determined the optimum number of layers ensuring the maximum conversion efficiency of wideband microwave microstrip sensors of weak magnetic fields.

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Публикация на русском языке Доменная структура и процессы перемагничивания многослойных систем из тонких пленок пермаллоя с немагнитными прослойками [Текст] / Б. А. Беляев, Н. М. Боев, А. В. Изотов, П. Н. Соловьев // Изв. вузов. Физика. - 2021. - Т. 64 № 6. - С. 170-176

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Belyaev, B. A.; Беляев, Борис Афанасьевич; Boev, N. M.; Боев, Никита Михайлович; Izotov, A. V.; Изотов, Андрей Викторович; Solovev, P. N.; Соловьев, Платон Николаевич; Ministry of Science and Higher EducationMinistry of Science and Higher Education, PolandEuropean Commission
}
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12.

Electromagnetic forming of aluminum alloy sheet using a grooved die: numerical modeling [Text] / Mamalis D.Manolakos D.E.Kladas A.G. [и др.] // Phys. Met. Metallogr. - Vol. 102, Suppl. 1, Chapter 13. - P. S90-S93DOI 10.1134/S0031918X06140237. - Cited References: 3
Аннотация: A commercial ANSYS FE Code is employed for the simulation of the electromagnetic sheet-metal forming into a grooved die. An industrial pancake coil is considered as the forming tool. The deformation characteristics of the sheet (workpiece) as well as the electromagnetic parameters of the high-energy process are calculated numerically. An equivalent-circuit method is used to validate the electromagnetic model. The results from both analyses are in good agreement.

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Держатели документа:
Manufacturing Technology Division, Athens, 15780, Greece
Electric Power Division, N.T.U.A., Athens, 15780, Greece
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences

Доп.точки доступа:
Mamalis, D.; Manolakos, D.E.; Kladas, A.G.; Koumoutsos, A.K.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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13.

Estimation of the thermal and photochemical stabilities of pheromones / F. N. Tomilin [et al.] // J. Mol. Model. - 2018. - Vol. 24, Is. 11. - Ст. 323, DOI 10.1007/s00894-018-3859-5. - Cited References: 35. - This study was supported by the Russian Foundation for Basic Research, Government of the Krasnoyarsk Territory, and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, project no. 16-44-243019 and the Russian Foundation for Basic Research, project no. 15-02-06869 and no. 16-04-00132. . - ISSN 1610-2940
Кл.слова (ненормированные):
Kinetic stability -- Atomic structure -- Density functional theory -- Excited states -- Terpenes
Аннотация: The correlation between the kinetic stability of molecules against temperature and variations in their geometric structure under optical excitation is investigated by the example of different organic pheromone molecules sensitive to temperature or ultraviolet radiation using the density functional theory. The kinetic stability is determined by the previously developed method based on the calculation of the probability of extension of any structural bond by a value exceeding the limit value Lмах corresponding to the breaking of the bond under temperature excitation. The kinetic stability calculation only requires the eigenfrequencies and vibrational mode vectors in the molecule ground state to be calculated, without determining the transition states. The weakest bonds in molecules determined by the kinetic stability method are compared with the bond length variations in molecules in the excited state upon absorption of light by a molecule. Good agreement between the results obtained is demonstrated and the difference between them is discussed. The universality of formulations within both approaches used to estimate the stability of different pheromone molecules containing strained cycles and conjugated, double, and single bonds allows these approaches to be applied for studying other molecules.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Federal Research Center KSC SB RAS, International Scientific Center for Extreme Organism States Research, Krasnoyarsk, 660036, Russian Federation
Sukachev Institute of Forest, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Artyushenko, P. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Ovchinnikova, T. M.; Tsikalova, P. E.; Soukhovolsky, V. G.
}
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14.

    Evaluating an improved parameterization of the soil emission in L-MEB / J. P. Wigneron [et al.] // IEEE Trans. Geosci. Remote Sensing. - 2011. - Vol. 49, Is. 4. - P. 1177-1189, DOI 10.1109/TGRS.2010.2075935. - Cited References: 26 . - ISSN 0196-2892
Рубрики:
BAND MICROWAVE EMISSION
   SURFACE-ROUGHNESS
   1.4 GHZ
   MODEL
   MOISTURE
   LAND
   RADIOMETER
   FREQUENCY
   FIELDS
   SPACE
Кл.слова (ненормированные):
Microwave remote sensing -- radiometry -- roughness -- soil moisture (SM) -- Soil Moisture and Ocean Salinity (SMOS) -- soil surface
Аннотация: In the forward model [L-band microwave emission of the biosphere (L-MEB)] used in the Soil Moisture and Ocean Salinity level-2 retrieval algorithm, modeling of the roughness effects is based on a simple semiempirical approach using three main "roughness" model parameters: H-R, Q(R), and N-R. In many studies, the two parameters Q(R) and N-R are set to zero. However, recent results in the literature showed that this is too approximate to accurately simulate the microwave emission of the rough soil surfaces at L-band. To investigate this, a reanalysis of the PORTOS-93 data set was carried out in this paper, considering a large range of roughness conditions. First, the results confirmed that Q(R) could be set to zero. Second, a refinement of the L-MEB soil model, considering values of N-R for both polarizations (namely, N-RV and N-RH), improved the model accuracy. Furthermore, simple calibrations relating the retrieved values of the roughness model parameters H-R and (N-RH - N-RV) to the standard deviation of the surface height were developed. This new calibration of L-MEB provided a good accuracy (better than 5 K) over a large range of soil roughness and moisture conditions of the PORTOS-93 data set. Conversely, the calibrations of the roughness effects based on the Choudhury approach, which is still widely used, provided unrealistic values of surface emissivities for medium or large roughness conditions.

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Correction Evaluating an improved parameterization of the soil emission in L-MEB [Текст] : Correction (2011, Vol. 49, P. 1177) / J. P. Wigneron [et al.] // IEEE Trans. Geosci. Remote Sensing : IEEE-Institute Electrical and Electronics Engineers, 2013. - Vol. 51 Is. 5.- P.3200-3200

Доп.точки доступа:
Wigneron, J. P.; Chanzy, A.; Kerr, Y. H.; Lawrence, H.; Shi, J. C.; Escorihuela, M. J.; Mironov, V. L.; Миронов, Валерий Леонидович; Mialon, A.; Demontoux, F.; de Rosnay, P.; Saleh-Contell, K.; Workshop on Remote Sensing and Modeling of Surface Properties (2nd ; Jun 09-11, 2009 ; Toulouse, France)
}
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15.

    Exchange bias in graphitic C/Co composites / H. -S. Hsu [et al.] // Carbon. - 2017. - Vol. 114. - P. 642-648, DOI 10.1016/j.carbon.2016.12.060. - Cited References: 54. - The authors would like to thank the Ministry of Science and Technology of the Republic of China, Taiwan, for financially supporting this research under Contract No. MOST 104-2112-M-153 -002 -MY3 (Hua-Shu Hsu), MOST 103-2112-M-213-004-MY3 (Hong-Ji Lin), and MOST 104-2112-M-390-001 (Shih-Jye Sun). We are thankful also to the President of Russia Program of support the leading scientific schools, grant NSh-7559,2016.2 (SGO). . - ISSN 0008-6223
   Перевод заглавия: Обменное смещение в графитовом композитном материале C/Co
Кл.слова (ненормированные):
Carbides -- Carbon -- Dichroism -- High resolution transmission electron microscopy -- Magnetoelectronics -- Transmission electron microscopy -- X ray absorption -- Electronics production -- Exchange bias effects -- Experimental evidence -- Magnetic interactions -- Potential materials -- Spintronics application -- Theoretical modeling -- X-ray magnetic circular dichroism -- Magnetic materials
Аннотация: The exchange bias (EB) effect, which is the shift of the hysteresis loop of a ferromagnet in direct contact with an antiferromagnet, is highly advantageous for the development of spintronics applications. Carbon (C) has been considered as a potential material in next generation electronics production as well as spintronics devices beyond silicon. Here we show experimental evidence for an EB in C/Co composites. The significant EB needs thermal annealing to occur. X-ray absorption spectra and transmission electron microscopy data of these samples reveal that Co carbides in as grown samples decompose and form graphitic C/Co interfaces after annealing. Using x-ray magnetic circular dichroism we have detected the C spins that are responsible for the EB. These results inspire a theoretical model to investigate the magnetic interactions in graphitic C/Co interfaces and interpret the observed results. © 2016 Elsevier Ltd

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Держатели документа:
Department of Applied Physics, National Pingtung University, 4-18, Minsheng Road, Pingtung, Taiwan
National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu, Taiwan
Department of Applied Physics, National University of Kaohsiung, 700, Kaohsiung University Road, Kaohsiung, Taiwan
Kirensky Institute of Physics SB RAS, Akademgorodok 50, Bld. 38, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation

Доп.точки доступа:
Hsu, Hua-Shu; Chang, Y.-Y.; Chin, Y.-Y.; Lin, H.-J.; Chen, C.-T.; Sun, S.-J.; Zharkov, S. M.; Жарков, Сергей Михайлович; Lin, C.-R.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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16.

Experimental modeling of C0-forming processes involving cohenite and CO2-fluid in a silicate mantle / Yu. V. Bataleva [et al.] // Dokl. Earth Sci. - 2018. - Vol. 483, Is. 1. - P. 1427–1430, DOI 10.1134/S1028334X18110016. - Cited References: 15. - This work was supported by the Russian Foundation for Basic Research (project no. 16–35–60024) and was performed as part of a State Assignment (project no. 0330–2016–0007). . - ISSN 1028-334X. - ISSN 1531-8354
Аннотация: Experimental studies were performed in the Fe3C–SiO2–(Mg,Ca)CO3 system (6.3 GPа, 1100–1500°C, 20–40 h). It is established that the carbide–oxide–carbonate interaction leads to the formation of ferrosilite, fayalite, graphite, and cohenite (1100 and 1200°С), as well as a Fe–C melt (1300°С). It is determined that the main processes in the system are decarbonation, redox-reactions of cohenite and a CO2-fluid, extraction of carbon from carbide, and crystallization of metastable graphite (± diamond growth), as well as the formation of ferriferous silicates. The interaction studied can be considered as a simplified model of the processes that occur during the subduction of oxidized crustal material to reduced mantle rocks.

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Публикация на русском языке Экспериментальное моделирование углеродпродуцирующих процессов с участием когенита и СО-флюида в условиях силикатной мантии / Ю. В. Баталева [и др.] // Докл. Акад. наук. - 2018. - Т. 483 № 1. - С. 84-88

Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Novosibirsk State University, Novosibirsk, Russia
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia

Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Yu. N.; Borzdov, Yu. M.; Bayukov, O. A.; Баюков, Олег Артемьевич; Sobolev, N. V.
}
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17.

Fedorov, A. S.
Development of the new empirical potential based on first-principles calculations of silicon nanostructures and its application to modeling of the amorphous silicon / A. S. Fedorov, M. A. Vysotin // Asian School-Conference on Physics and Technology of Nanostructured Materials. - 2013. - P. 145-146

Материалы конференции

Доп.точки доступа:
Vysotin, M. A.; Высотин, Максим, Александрович; Федоров, Александр Семенович; Asian School-Conference on Physics and Technology of Nanostructured Materials(2 ; 2013 ; Aug. ; 20-27 ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(2 ; 2013 ; авг. ; 20-27 ; Владивосток)
}
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18.

Fedorov, A. S.
Modeling of fullerens formation in carbon contained plasma / A. S. Fedorov, P. V. Novikov, G. N. Churilov // Workshop "Trends in Nanomechanics and Nanoengineering" : book of abstracts / предс. сем. K. S. Aleksandrov ; зам. предс. сем.: G. S. Patrin, S. G. Ovchinnikov ; чл. лок. ком.: N. N. Kosyrev, A. S. Fedorov [et al]. - 2009. - P. 15

Материалы семинара

Доп.точки доступа:
Aleksandrov, K. S. \предс. сем.\; Александров, Кирилл Сергеевич; Patrin, G. S. \зам. предс. сем.\; Патрин, Геннадий Семёнович; Ovchinnikov, S. G. \зам. предс. сем.\; Овчинников, Сергей Геннадьевич; Kosyrev, N. N. \чл. лок. ком.\; Косырев, Николай Николаевич; Fedorov, A. S. \чл. лок. ком.\; Федоров, Александр Семенович; Novikov, P. V.; Churilov, G. N.; Чурилов, Григорий Николаевич; "Trends in Nanomechanics and Nanoengineering", workshop(2009 ; Aug. ; 24-28 ; Krasnoyarsk); Сибирский федеральный университет; Институт физики им. Л.В. Киренского Сибирского отделения РАН
}
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19.

Four steps for revealing and adjusting the 3D structure of aptamers in solution by small-angle X-ray scattering and computer simulation / F. N. Tomilin [et al.] // Anal. Bioanal. Chem. - 2019. - Vol. 411, Is. 25. - P. 6723-6732, DOI 10.1007/s00216-019-02045-0. - Cited References: 51. - Authors are grateful to Ana Gargaun for English grammar correction. This work was funded in parts by the Ministry of Science and Higher Education of the Russian Federation; project 0287-2019-0007 the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. SP-938.2015.5) and the grant of KSAI “Krasnoyarsk Regional Fund of Supporting Scientific and Technological Activities” for M.P., the internship “The study of the stacking of the secondary structure of DNA aptamers to thrombin” for R.M. . - ISSN 1618-2642
Кл.слова (ненормированные):
Aptamer -- Thrombin -- Three-dimensional structure -- Small-angle X-ray scattering -- Molecular modeling
Аннотация: Nucleic acid (NA) aptamers bind to their targets with high affinity and selectivity. The three-dimensional (3D) structures of aptamers play a major role in these non-covalent interactions. Here, we use a four-step approach to determine a true 3D structure of aptamers in solution using small-angle X-ray scattering (SAXS) and molecular structure restoration (MSR). The approach consists of (i) acquiring SAXS experimental data of an aptamer in solution, (ii) building a spatial distribution of the molecule’s electron density using SAXS results, (iii) constructing a 3D model of the aptamer from its nucleotide primary sequence and secondary structure, and (iv) comparing and refining the modeled 3D structures with the experimental SAXS model. In the proof-of-principle we analyzed the 3D structure of RE31 aptamer to thrombin in a native free state at different temperatures and validated it by circular dichroism (CD). The resulting 3D structure of RE31 has the most energetically favorable conformation and the same elements such as a B-form duplex, non-complementary region, and two G-quartets which were previously reported by X-ray diffraction (XRD) from a single crystal. More broadly, this study demonstrates the complementary approach for constructing and adjusting the 3D structures of aptamers, DNAzymes, and ribozymes in solution, and could supply new opportunities for developing functional nucleic acids. [Figure not available: see fulltext.]. © 2019, Springer-Verlag GmbH Germany, part of Springer Nature.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC Siberian Branch Russian Academy of Sciences, 50/38 Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, 660041, Russian Federation
Federal Research Center “Krasnoyarsk Science Center” Siberian Branch of the Russian Academy of Sciences, 50 Akademgorodok, Krasnoyarsk, 660036, Russian Federation
NRC Kurchatov Institute, 1, Academic Kurchatov Square, Moscow, 123182, Russian Federation
A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, 1/40 Leninskie Gory, Moscow, 119992, Russian Federation
Krasnoyarsk State Medical University, 1 Partizana Zheleznyaka, Krasnoyarsk, 660022, Russian Federation
Department of Chemistry and Biomolecular Sciences, University of Ottawa, 10 Marie-Curie, Ottawa, ON K1N6N5, Canada

Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Moryachkov, R.; Морячков, Роман Владимирович; Shchugoreva, I.; Zabluda, V. N.; Заблуда, Владимир Николаевич; Peters, G.; Platunov, M. S.; Платунов, Михаил Сергеевич; Spiridonova, V.; Melnichuk, A.; Atrokhova, A.; Zamay, S. S.; Замай, С. С.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Zamay, G. S.; Замай, Галина Сергеевна; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Zamay, T. N.; Замай, Т. Н.; Berezovski, M. V.; Kichkailo, A. S.
}
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20.

Grafting of carboxyl groups using CO2/C2H4/Ar pulsed plasma: Theoretical modeling and XPS derivatization / A. Manakhov [et al.] // Appl. Surf. Sci. - 2018. - Vol. 435. - P. 1220-1227, DOI 10.1016/j.apsusc.2017.11.174. - Cited References: 34. - Authors gratefully acknowledge the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST «MISiS» (№ K4-2016-005), implemented by a governmental decree dated 16th of March 2013, N 211. Authors acknowledge the project CEITEC 2020 (LQ1601) with financial support from the Ministry of Education, Youth and Sports of the Czech Republic (MEYS CR) under the National Sustainability Programme II. Part of the work (XPS analyses) was carried out with the support of CEITEC Nano Research Infrastructure (MEYS CR, 2016–2019) and COST CZ project LD15150 financed by MEYS CR. . - ISSN 0169-4332
Кл.слова (ненормированные):
Plasma deposition -- Carboxyl functionalization -- XPS -- Derivatization -- Modeling
Аннотация: The grafting of carboxyl groups enhances cell adhesion and can be used for immobilization of different biomolecules onto plasma-treated materials. The process, however, was not well optimized due to lack of clear understanding of the mechanisms of carboxylic group incorporation into plasma and their grafting to polymer surface. In this work the deposition of COOH plasma polymers from CO2/C2H4/Ar pulsed discharge has been studied depending on the gas mixture and duty cycle. We have demonstrated that the CO2/C2H4/Ar plasma with adjustable thickness of COOH functionalized layer and high stability of the grafted functions in water is a better solution for the COOH surface functionalization compared to the thoroughly analyzed CO2 plasma. The concentration of different carbon environments and the density of COOH groups have been measured by using chemical derivatization combined with X-ray photoelectron spectroscopy. It has been found that the CO2/C2H4/Ar plasma mainly contains ester groups (COOC), the COOH/COOC ratio being between 0.03 and 0.08. The water stability of the COOH groups was significantly higher compared to ester environment, so immersing in water for 24 h allowed to increase the COOH/COOC ratio by a factor of 3. The mechanisms of the CO2 molecule attachment to hydrocarbon chains on the polymer surface and those located inside the plasma were modeled using ab initio calculations.

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Держатели документа:
National University of Science and Technology “MISiS”, Leninsky pr. 4, Moscow, Russian Federation
RG Plasma Technologies, CEITEC – Central European Institute of Technology, Masaryk University, Purkynova 123, Brno, Czech Republic
Department of Physical Electronics, Faculty of Science, Masaryk University, Kotlarska 2, Brno, Czech Republic
CEITEC - Central European Institute of Technology, Brno University of Technology, Purkynova 123, Brno, Czech Republic
Siberian Federal University, 79 Svobodny av., Krasnoyarsk, Russian Federation
Federal Research Center KSC SB RAS, 50/38 Akademgorodok, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Manakhov, A.; Kiryukhantsev-Korneev, P.; Michlicek, M.; Permyakova, E.; Dvorakova, E.; Polcak, J.; Popov, Z.; Visotin, M. A.; Высотин, Максим Александрович; Shtansky, D. V.
}
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