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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrilyuk A. P., Gerasimov V. S., Ershov A. E., Karpov S. V.
Заглавие : Temperature dependent elastic repulsion of colloidal nanoparticles with a polymer adsorption layer
Коллективы : Russian Foundation for Basic Research; government of the Krasnoyarsk territory and Krasnoyarsk Regional Fund of Science [18-42-243023]; RF Ministry of Science and Education,; State contract with Siberian Federal University for scientific research in 2017-2019; SB RAS Program [II.2P (0358-2015-0010)]
Место публикации : Colloid Polym. Sci. - 2018. - Vol. 296, Is. 10. - P.1689-1697. - ISSN 0303-402X, DOI 10.1007/s00396-018-4383-y. - ISSN 1435-1536(eISSN)
Примечания : Cited References: 49. - The reported research was funded by the Russian Foundation for Basic Research, the government of the Krasnoyarsk territory and Krasnoyarsk Regional Fund of Science, grant 18-42-243023, the RF Ministry of Science and Education, the State contract with Siberian Federal University for scientific research in 2017-2019, and SB RAS Program No II.2P (0358-2015-0010).
Предметные рубрики: STERICALLY-STABILIZED PARTICLES
DEPLETION FLOCCULATION
AGGREGATION
Ключевые слова (''Своб.индексиров.''): nanoparticle--adsorption layer--elastic deformation--coagulation--kinetics--elasticity modulus
Аннотация: The model of pairwise elastic repulsion of contacting colloidal nanoparticles with a rigid core and deformable shell is discussed. A simple analytical equation is applied for the energy of elastic repulsion of nanoparticles with arbitrary sizes and the elasticity moduli of self-healing polymer adsorption layers. The model is based on the representation of the absorption layer as a continuous medium that is elastically deformed upon the contact of nanoparticles. The major characteristic of this medium is the elasticity modulus. The magnitude of the elasticity modulus is determined from the condition of balance of the van der Waals attractive forces of nanoparticles and the elastic repulsion of their adsorption layers in the contact area, taking into account the temperature variations. We employed the kinetic approach to describe the dependence of the elasticity modulus on both the temperature and the rate of its change.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrilyuk A. P., Isaev I. L., Gerasimov V. S., Karpov S. V.
Заглавие : Physical principles of the formation of a nanoparticle electric double layer in metal hydrosols
Место публикации : Colloid Polym. Sci. - 2020. - Vol. 298, Is. 1. - P.1-7. - ISSN 0303-402X, DOI 10.1007/s00396-019-04573-8. - ISSN 1435-1536 (eISSN)
Примечания : Cited References: 25. - The reported research was funded by the Russian Foundation for Basic Research and the government of the Krasnoyarsk territory, Krasnoyarsk Regional Fund of Science, grant No 18-42-243023, the RF Ministry of Education and Science, the State contract with Siberian Federal University for scientific research in 2017–2019.
Аннотация: The Brownian dynamics method is employed to study the formation of an electrical double layer (EDL) on the metal nanoparticle (NP) surface in hydrosols during adsorption of electrolyte ions from the interparticle medium. Also studied is the charge accumulation by NPs in the Stern layer. To simulate the process of the formation of EDL, we took into account the effect of image forces and specific adsorption, dissipative and random forces, and the degree of hydration of adsorbed ions on the EDL structure. The employed model makes it possible to determine the charge of NPs and the structure of EDL. For the first time, the charge of both the diffuse part of EDL and the dense Stern layer has been determined. A decrease in the electrolyte concentration (below c ˂ 0.1 mol/l) has been found to result in dramatic changes in the formation of the Stern layer.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Fedorov D. A., Popov Z. I., Anan'eva Y. E., Eliseeva N. S., Kuzubov A. A.
Заглавие : Mobility of Vacancies under Deformation and Their Effect on the Elastic Properties of Graphene
Разночтения заглавия :авие SCOPUS: Mobility of vacancies under deformation and their effect on the elastic properties of graphene
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 112, Is. 5. - P820-824. - ISSN 1063-7761, DOI 10.1134/S1063776111040042
Примечания : Cited References: 35
Предметные рубрики: WALLED CARBON NANOTUBES
INITIO MOLECULAR-DYNAMICS
AB-INITIO
GRAPHITE SURFACES
DEFECTS
IRRADIATION
HYDROGEN
POINTS
Ключевые слова (''Своб.индексиров.''): ab initio--applied strain--density-functional methods--elastic properties--graphene sheets--linear dependence--potential barriers--transition state theories--young's modulus--elasticity--graphene
Аннотация: The effect of isolated vacancies on the elastic properties of a graphene sheet has been investigated by the ab initio density functional method. An almost inverse linear dependence of the Young's modulus on the concentration of vacancies has been revealed. The height of potential barriers for the motion of vacancies in various directions has been calculated as a function of various independent applied strains. The velocity of vacancies at various temperatures has been calculated as a function of applied strains using the transition state theory. DOI: 10.1134/S1063776111040042
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Val'kov V. V., Mitskan V. A., Petrakovskii G. A.
Заглавие : The magnetoelastic mechanism of singlet phase formation in a two-dimensional quantum antiferromagnet
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 102, Is. 2. - P234-247. - ISSN 1063-7761, DOI 10.1134/S106377610602004X
Примечания : Cited References: 18
Предметные рубрики: GROUND-STATE
SPIN
TRANSITION
CUGEO3
MODEL
Ключевые слова (''Своб.индексиров.''): crystal lattices--elasticity--mathematical models--oscillations--phase diagrams--phase transitions--quantum theory--two dimensional--atomic representation--magnetoelastic mechanism--quantum antiferromagnets--singlet phase formation--antiferromagnetic materials
Аннотация: A model describing the second-order phase transition with respect to the magnetoelastic coupling parameter from the anti ferromagnetic (AFM) to the singlet state in a two-dimensional quantum magnet on a square lattice is proposed. The spectrum of elementary excitations in the singlet and AFM phases is calculated using an atomic representation, and the evolution of transverse and longitudinal branches of this spectrum is studied in the vicinity of the transition point. It is established that the AFM to singlet phase transition is related to softening of the longitudinal branch of oscillations. In the singlet phase, the gap plays the role of a parameter characterizing the distance to the phase transition point. It is shown that the spectrum of transverse oscillations in the AFM phase corresponds to the Goldstone boson. Based on an analysis of the stability of the spectrum of elementary excitations, a phase diagram is constructed that determines the regions of the existence of phases with plaquette-deformed lattices.
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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) : Sorokin P.B., Kvashnin A.G., Kvashnin D.G., Filicheva J.A., Avramov P. V., Chernozatonskii L.A., Fedorov A. S.
Заглавие : Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires
Место публикации : ACS Nano. - 2010. - Vol. 4, Is. 5. - P.2784-2790. - MAY. - ISSN 1936-0851, DOI 10.1021/nn9018027
Примечания : Cited Reference Count: 28. - Гранты: P.B.S. acknowledges partial support by the National Science Foundation grant CMMI-0708096, NIRT. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS Grant No. 09-02-92107-Phi. All calculations have been performed on the Joint Supercomputer Center of the Russian Academy of Sciences. The geometry of all presented structures was visualized by ChemCraft software.Финансирующая организация: National Science Foundation [CMMI-0708096]; NIRT; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-Phi]
Предметные рубрики: ELECTRONIC-PROPERTIES
BUILDING-BLOCKS
NANOCRYSTALS
Ключевые слова (''Своб.индексиров.''): silicon nanowires--elastic properties--molecular mechanics--tersoff potential--elastic properties--molecular mechanics--silicon nanowires--tersoff potential--atomic structure--branch length--elastic properties--interatomic potential--silicon nanowires--tersoff potential--theoretical study--young modulus--carbon nanotubes--elasticity--molecular mechanics--nanowires--stiffness--crystal atomic structure--nanowire--silicon--article--chemical structure--chemistry--conformation--elasticity--mechanical stress--young modulus--elastic modulus--elasticity--models, molecular--molecular conformation--nanowires--silicon--stress, mechanical
Аннотация: The atomic structure and elastic properties of Y-shaped silicon nanowires of "fork"- and "bough"-types were theoretically studied, and effective Young moduli were calculated using Tersoff interatomic potential. The oscillation of fork Y-type branched nanowires with various branch lengths and diameters was studied. In the final stages of the bending, the formation of new bonds between different parts of the wires was observed. It was found that the stiffness of the nanowires is comparable with the stiffness of Y-shaped carbon nanotubes.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Magnetic properties and spin crossover in transition metal oxides with d5 Ions at high pressures
Место публикации : J. Exp. Theor. Phys. - 2019. - Vol. 129, Is. 6. - P.1062-1069. - ISSN 10637761 (ISSN), DOI 10.1134/S1063776119120185
Примечания : Cited References: 33. - This study was supported by the Russian Science Foundation (project no. 18-12-00022)
Аннотация: We analyze the influence of cooperative effects on the magnetic properties and spin crossover between the high-spin (HS) term S = 5/2 and low-spin (LS) term S = 1/2 in Mott–Hubbard dielectrics with 3d5 ions under high pressures. Two cooperation mechanisms (superexchange interaction and effective interaction via the elastic system) are considered. The sign of the exchange interaction changes because of the crossover from the antiferromagnetic in the HS state to the ferromagnetic in the LS state. In view of the large difference between the ionic radii of the HS and LS states, the systems with spin crossover acquire an additional strong coupling via the elastic system. Using the Hubbard operator representation and considering the electronic states of the two terms simultaneously, we obtain the effective Hamiltonian with allowance for the cooperative effects. The magnetic phase diagram and the spin crossover are investigated in the mean field approximation. It is shown that the inclusion of cooperative effects at low temperatures leads to a first-order phase transition between the antiferromagnetic HS state and the ferromagnetic LS state. At higher temperatures, more complicated sequences of phase transitions are possible upon an increase in pressure, including the HS paramagnet–HS antiferromagnet–LS paramagnet and HS antiferromagnet–LS paramagnet–LS ferromagnet transitions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chernozatonskii L.A., Sorokin P.B., Kuzubov A.A., Kvashnin A.G., Kvashnin D.G., Avramov P.V., Yakobson B.I., Sorokin B.P.
Заглавие : Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness
Место публикации : J. Phys. Chem. C. - 2011. - Vol. 115, Is. 1. - P.132-136. - JAN 13. - ISSN 1932-7447, DOI 10.1021/jp1080687
Примечания : Cited Reference Count: 37. - Гранты: L.A.C. was supported by the Russian Academy of Sciences, program No. 21 and by the Russian Foundation for Basic Research (project no. 08-02-01096). P.B.S. and B.I.Y. acknowledge support by the Office of Naval Research (MURI project). P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS grant no. 09-02-92107-R Phi. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for the possibility of using a cluster computer for quantum chemical calculations. The geometry of all presented structures was visualized by commercial Chem-Craft software.Финансирующая организация: Russian Academy of Sciences [21]; Russian Foundation for Basic Research [08-02-01096]; Office of Naval Research (MURI); RFBR-JSPS [09-02-92107-RPhi]
Предметные рубрики: REVERSIBLE HYDROGENATION
GRAPHENE
GRAPHANE
Atomic structure
Band gaps
Diamond nanocrystals
Elastic properties
Electronic band structure calculation
Energy stability
Experimental data
Hydrogen atoms
Nanometer thickness
Size effects
Theoretical result
Diamond films
Elasticity
Carbon films
Ключевые слова (''Своб.индексиров.''): atomic structure--band gaps--diamond nanocrystals--elastic properties--electronic band structure calculation--energy stability--experimental data--hydrogen atoms--nanometer thickness--size effects--theoretical result--diamond films--elasticity--carbon films
Аннотация: The atomic structure and physical properties of few-layered 111 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 111 layers. All theoretical results were compared with available experimental data.The atomic structure and physical properties of few-layered 〈111〉 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 〈111〉 layers. All theoretical results were compared with available experimental data. © 2010 American Chemical Society.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Turchin P. P., Parfenov A. A., Beletsky Jun V. V., Volzhentcev A. A., Ruzanov V. M., Aleksandrov K. S.
Заглавие : The examination of frequency dependences of elastic waves velocities and their attenuation in heterogeneous mediums
Коллективы : IEEE International Ultrasonics symposium
Место публикации : Proceedings - IEEE Ultrasonics Symposium. - 2007. - Ст.4409985. - P.1637-1640. - ISBN 1051, DOI 10.1109/ULTSYM.2007.412. - ISBN 1424413834; 9781424413836
Ключевые слова (''Своб.индексиров.''): automation of measurings--ceramics--composites--elastic properties--physical acoustics--sound signal attenuation--elastic waves--elasticity--waves--automation of measurings--ceramics--composites--elastic properties--frequency dependences--frequency ranging--physical acoustics--sound signal attenuation--ultrasonics
Аннотация: The pulse - phase method for examination of ultrasonic waves propagation in materials, including mediums with high attenuation of a sound was designed. By automation methods of measurings the opportunity of determination the elastic waves velocities with an frequency range 100 kHz - 30 MHz with the resolution on frequency of 10-6 Hz is implemented. The phase method and a method of the frequency strobing for recording impulses are realized. These methods allow to define with precision not worse than 10-9 second the time of ultrasonic waves propagation. Requirements to the minimum linear dimensions of samples are restricted by the method sensitivity only. Velocities of elastic waves and their signal attenuation in ceramic and composites are measured. В© 2007 IEEE.
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Aleksandrov K. S., Turchin P. P., Sorokin B. P., Karpovich A. A., Nefedov V. A.
Заглавие : Bulk acoustic waves propagation in Li2B4O7 piezoelectric crystals under the static uniaxial mechanical pressure
Коллективы : Annual frequency control symposium
Место публикации : Proceedings of the Annual IEEE International Frequency Control Symposium/ Annual frequency control symposium (54 ; 2000 ; Jun. ; 7-9 ; Kansas, MO). - 2000. - P.214-217. - ISBN 01616404
Примечания : Cited References: 8
Ключевые слова (''Своб.индексиров.''): acoustic wave transmission--acoustic wave velocity--elasticity--lithium compounds--mathematical models--permittivity--piezoelectricity--pressure effects--single crystals--electromechanical constants--piezoelectric crystal--piezoelectric materials
Аннотация: The influence of uniaxial mechanical stresses on bulk acoustic waves velocity in piezoelectric crystals Li2B4O7 has been investigated. Electromechanical constants have determined.
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