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Zobov, V. E.
A Monte Carlo study of the dependence of the growth parameter for trees on the lattice dimension in the Eden model / V. E. Zobov, M. A. Popov // Theor. Math. Phys. - 2001. - Vol. 126, Is. 2. - P. 270-279, DOI 10.1023/A:1005260114182. - Cited References: 17 . - ISSN 0040-5779

РУБ Physics, Multidisciplinary + Physics, Mathematical
Рубрики:
DIFFUSION-LIMITED AGGREGATION
   BRANCHED POLYMERS
   HIGH-TEMPERATURES
   EXPANSION
   TIME
Аннотация: We use the Monte Carlo method to compute the number of trees with n edges in the Eden model on d-dimensional simple cubic lattices for d = 2, 3, 4, 6, 8, 10. We compare these numbers with the exact data derived by the enumeration method up to n = 12 on the square lattice and up to n = 10 on the cubic lattice. We find that for d greater than or equal to 3, the computed values of the growth parameter for trees agree with the values that we derived earlier by the expansion in inverse powers of 2d - 1.

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Держатели документа:
RAS, Siberian Branch, Kirenskii Phys Inst, Krasnoyarsk, Russia
Krasnoyarsk State Univ, Krasnoyarsk, Russia
ИФ СО РАН
Kirenskii Physics Institute, Siberian Branch, RAS, Krasnoyarsk, Russian Federation
Krasnoyarsk State University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Popov, M. A.; Зобов, Владимир Евгеньевич
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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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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // 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, DOI 10.1002/pssb.200982285. - 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. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
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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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
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Bias-current and optically driven transport properties of the hybrid Fe/SiO 2/p-Si structures / N. V. Volkov [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 526-529, DOI 10.4028/www.scientific.net/SSP.190.526 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
Hybrid structure -- Mis transition -- Photoelectric effect -- Schottky barrier -- Channel switching -- Comparative analysis -- Electron hole pairs -- Fe films -- Fe layer -- Ferromagnetic films -- Hybrid structure -- Optical effects -- Optical radiations -- Photogeneration -- Planar geometries -- Schottky barriers -- Semiconductor substrate -- Temperature variation -- Critical currents -- Interfaces (materials) -- Magnetic materials -- Photoelectricity -- Schottky barrier diodes -- Silicon -- Switching circuits -- Transport properties
Аннотация: Pronounced optical- and bias-current-sensitive features of the transport properties of a Fe/SiO 2/p-Si hybrid structure in planar geometry at temperature variation are investigated. Comparative analysis of two Fe/SiO 2/p-Si samples, one with a continuous Fe film and the other with two electrodes formed from a Fe layer and separated by a micron gap, shows that these features are due to the MIS transition with a Schottky barrier near the interface between SiO 2 and p- Si. Resistance of such a MIS transition depends exponentially on temperature and bias. In the structure with a continuous ferromagnetic film, the competition between conductivities of the MIS transition and the Fe layer results in the effect of current channel switching between the Fe layer and a semiconductor substrate. Within certain limits, this process can be controlled by a bias current and optical radiation. The mechanism of the optical effect is photogeneration of electron-hole pairs in the semiconductor substrate near its boundary with SiO 2 layer. В© (2012) Trans Tech Publications.

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Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Eremin, E. V.; Еремин, Евгений Владимирович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
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Ryzhkov, I. I.
Convective stability of multicomponent fluids in the thermogravitational column / I. I. Ryzhkov, V. M. Shevtsova // Phys. Rev. E. - 2009. - Vol. 79, Is. 2. - Ст. 26308, DOI 10.1103/PhysRevE.79.026308. - Cited References: 26 . - ISSN 1539-3755

РУБ Physics, Fluids & Plasmas + Physics, Mathematical
Рубрики:
THERMAL-DIFFUSION
   SORET COEFFICIENT
   MIXTURES
   SEPARATION
   LIQUID
Кл.слова (ненормированные):
convection -- density -- flow instability -- Galerkin method -- heat transfer -- mass transfer -- thermal diffusion -- Binary mixtures -- Fluids -- Galerkin methods -- Linear stability analysis -- Ternary systems -- Thermal diffusion -- Planes -- Binary fluids -- Convective stabilities -- Cross-diffusion effects -- Density stratifications -- Individual components -- Linear stabilities -- Longitudinal instabilities -- Longitudinal waves -- Multi-component fluids -- Separation ratios -- Soret effects -- Stability problems -- Temperature gradients -- Ternary fluids -- Ternary mixtures -- Thermal diffusion coefficients -- Transversal waves -- Vertical axis -- Vertical directions -- System stability
Аннотация: A comprehensive linear stability analysis of convection in the thermogravitational column is first performed for multicomponent fluids. Two types of perturbations are investigated: Longitudinal waves propagating in vertical direction of the column and transversal waves propagating perpendicular to the vertical axis and temperature gradient. The stability problems are reduced to those without cross-diffusion effect by a special transformation. The calculations are performed for binary and ternary mixtures by the Galerkin method. It is found that in binary fluids, the onset of longitudinal instability can be monotonic or oscillatory depending on the separation ratio, which characterizes the Soret effect. The difference between stability characteristics of binary and ternary fluids is associated with different diffusion times of components in a ternary system. It is shown that the mechanism of transversal instability is related to the unstable density stratification in the column (in total or due to individual components). The unstable stratification can only be realized in fluids with negative Soret effect. The analogue of exchange of stabilities principle for a plane column with a multicomponent fluid is proved. The obtained results indicate that the thermogravitational column can be used for measuring diffusion and thermal diffusion coefficients in ternary and higher mixtures with one or several components having negative Soret effect.

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Держатели документа:
[Ryzhkov, Ilya I.
Shevtsova, Valentina M.] Univ Libre Bruxelles, Dept Chem Phys, MRC, B-1050 Brussels, Belgium
[Ryzhkov, Ilya I.] Inst Computat Modelling SB RAS, Krasnoyarsk 660036, Russia
ИВМ СО РАН
MRC, Department of Chemical Physics, Universite Libre de Bruxelles, av. F.D. Roosevelt 50, B-1050 Brussels, Belgium
Institute of Computational Modelling, SB, RAS, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shevtsova, V. M.
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Coupled R and Fe magnetic excitations in RFe 3(BO 3) 4 multiferroics / A. M. Kuzmenko [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 269-272, DOI 10.4028/www.scientific.net/SSP.190.269 . - ISBN 9783037854365
Кл.слова (ненормированные):
Magnetic resonance -- Rare-earth iron borates -- Terahertz spectroscopy -- Antiferromagnetics -- Coupled mode -- Exchange coupled -- Frequency ranges -- G factors -- Iron borate -- Magnetic excitations -- Multiferroics -- Resonance mode -- Strong interaction -- Transmission spectrums -- Antiferromagnetism -- Electron transitions -- Gadolinium -- Ions -- Magnetic materials -- Magnetic permeability -- Magnetic resonance -- Terahertz spectroscopy -- Neodymium
Аннотация: Various resonance modes were observed in the transmission spectra of rare-earth iron borates RFe 3(BO 3) 4 (R = Nd 3+, Sm 3+, Gd 3+) at the frequency range 100-600 GHz, which were attributed to collective magnetic excitations in the exchange coupled Fe- and R-subsystems, i.e. antiferromagnetic (Fe) resonance and electron transitions in the R-ions. Strong interaction of the Fe and R oscillations was revealed and theoretically analyzed taking into account feature of the R-ion ground state. Intensities of the coupled modes (contributions to magnetic permeability) strongly depend on a difference of Fe and R ions g-factors that allows defining the sign of the latter. In particular, an appreciable intensity of exchange (Nd) modes in NdFe 3(BO 3) 4 is caused by g Nd?,|| < 0 whereas in GdFe 3(BO 3) 4 with gGd ? gFe ? 2 the exchange (Gd) modes were hided due to compensation of Fe and Gd contributions. In SmFe 3(BO 3) 4, despite a negligible Sm g-factor, the Sm modes were clear observed due to their excitation via coupling with the Fe-subsystem. В© (2012) Trans Tech Publications.

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Доп.точки доступа:
Kuzmenko, A. M.; Кузьменко А.М.; Mukhin, A. A.; Ivanov, V.Yu.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
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Kaptsov, O. V.
Differential constraints and exact solutions of nonlinear diffusion equations / O. V. Kaptsov, I. V. Verevkin // J. Phys. A. - 2003. - Vol. 36, Is. 5. - P. 1401-1414, DOI 10.1088/0305-4470/36/5/315. - Cited References: 29 . - ISSN 0305-4470

РУБ Physics, Multidisciplinary + Physics, Mathematical
Рубрики:
REDUCTION
Аннотация: The differential constraints are applied to obtain explicit solutions of nonlinear diffusion equations. Certain linear determining equations with parameters are used to find such differential constraints. They generalize the determining equations used in the search for classical Lie symmetries.

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Держатели документа:
RAS, Inst Comp Modeling, Krasnoyarsk 660036, Russia
ИВМ СО РАН
Institute of Computing Modeling, RAS, Academgorodok, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Verevkin, I. V.
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Diffusion of strontium in the intergranular boundaries of La2–xSrxCuO4 / A. A. Bykov, D. M. Gokhfeld, K. Y. Terent’ev [et al.] // Russ. J. Phys. Chem. A. - 2021. - Vol. 95, Is. 6. - P. 1165-1168, DOI 10.1134/S0036024421060066. - Cited References: 11. - This work was supported by the Russian Science Foundation, project no. 17-72-10067 . - ISSN 0036-0244
Кл.слова (ненормированные):
composites -- superconductivity -- diffusion -- grain boundaries -- diffusion front -- LSCO (La1.56Sr0.44CuO4)
Аннотация: Energy dispersive X-ray spectroscopy and scanning electron microscopy are used to study La2CuO4–La1.56Sr0.44CuO4 composites with different annealing times. Maps of the strontium distribution for such systems are calculated and compared to experimental data obtained for the area of contact between two dissimilar granules. The coefficient of lattice diffusion of strontium is found. At the areas of contact between La2CuO4 and La1.56Sr0.44CuO4 granules, the strontium concentration corresponds to superconducting phase La2−xSrxCuO4 with x = 0.05–0.25. The technological parameters of synthesis affect the size and number of superconducting and normal regions. Prolonged annealing lowers the gradient of the strontium concentration, which halts the increase in the size of the superconducting regions. This saturation confirms the diffusion front model.

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Публикация на русском языке Диффузия стронция в межгранульной границе La2−xSrxCuO4 [Текст] / А. А. Быков, Д. М. Гохфельд, К. Ю. Терентьев [и др.] // Журн. физ. химии. - 2021. - Т. 95 № 6. - С. 903-907

Держатели документа:
Petersburg Institute of Nuclear Physics, National Research Center Kurchatov Institute, Gatchina, 188300, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Bykov, A. A.; Gokhfeld, D. M.; Гохфельд, Денис Михайлович; Terent'ev, K. Yu.; Терентьев, Константин Юрьевич; Volochaev, M. N.; Волочаев, Михаил Николаевич; Petrov, M. I.; Петров, Михаил Иванович
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Effect of short antiferromagnetic correlations on the normal and superconducting properties in copper oxides / S. G. Ovchinnikov, M. M. Korshunov, E. I. Shneyder // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2011. - Vol. 168-169. - P561-566, DOI 10.4028/www.scientific.net/SSP.168-169.561 . - ISSN 1012-0394
Кл.слова (ненормированные):
high temperature superconductivity -- short range antiferromagnetic order -- strong electron correlations -- antiferromagnetic materials -- antiferromagnetism -- copper oxides -- electron correlations -- electron density measurement -- antiferromagnetism -- electron correlations -- ab initio -- antiferromagnetic correlations -- cuprates -- high-t -- high-temperature superconductivity -- hubbard -- low energies -- multiband model -- short range antiferromagnetic order -- strong electron correlations -- superconducting properties -- t-j models -- antiferromagnetic orderings -- superconductivity -- copper oxides -- high temperature superconductivity
Аннотация: The abnormal "normal" state and origin of high temperature superconductivity in cuprates are still not clear [1-2]. The strong electron correlations (SEC) are known to be one of the main difficulties for the theory of high- Tc cuprates. The conventional LDA (local density approximation) approach to the band structure fails in the regime of SEC. Various realistic multiband models of a CuO2 layer at low energy result in the effective Hubbard or t - J models [3-7]. The hybrid LDA+GTB scheme [8] generates the low-energy effective t - t? - t? - J* model with all parameters calculated ab initio.

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian Aerospace University, Krasnoyarsk, 660014, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, University of Florida, Gainesville, FL 32611, United States

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Shneyder, E. I.; Шнейдер, Елена Игоревна
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10.

Altunin, R. R.
Effect of the structural properties on the electrical resistivity of the Al/Ag thin films during the solid-state reaction / R. R. Altunin, E. T. Moiseenko, S. M. Zharkov // Phys. Solid State. - 2020. - Vol. 62, Is. 4. - P. 708-713, DOI 10.1134/S1063783420040034. - Cited References: 43. - This study was supported by the Russian Science Foundation, project no. 18-13-00080. . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
LIGHT-EMITTING-DIODES
   PHASE-FORMATION
   AG
   AL
   DIFFUSION
   SUPPRESSION
   INTERFACE
   SURFACE
   GROWTH
   HEAT
Кл.слова (ненормированные):
thin films -- phase formation -- Al/Ag -- solid-state reaction; -- electron diffraction -- resistivity
Аннотация: Based on the results of in situ electron diffraction study of the solid-state reaction and electrical resistivity measurements on the Al/Ag thin films with an atomic ratio of Al : Ag = 1 : 3, the temperature of the reaction onset has been established and a model of the structural phase transitions has been proposed. The solid-state reaction begins at 70°C with the formation of the Al–Ag solid solution at the interface between the aluminum and silver nanolayers. It has been found that, in the course of the reaction, the intermetallic compounds γ-Ag2Al → μ-Ag3Al are successively formed. It is shown that the possibility of the formation of the μ‑Ag3Al phase during the solid-state reaction in the Al/Ag thin films depends on the aluminum-to-silver ratio, while the formation of the μ-Ag3Al phase begins only after all fcc aluminum has reacted.

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Публикация на русском языке Алтунин Р. Р. Влияние структурных свойств на электросопротивление тонких пленок Al/Ag в процессе твердофазной реакции [Текст] / Р. Р. Алтунин, Е. Т. Моисеенко, С. М. Жарков // Физ. тверд. тела. - 2020. - Т. 62 Вып. 4. - С. 621-626

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Moiseenko, E. T.; Zharkov, S. M.; Жарков, Сергей Михайлович; Russian Science FoundationRussian Science Foundation (RSF) [18-13-00080]
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