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Вид документа : Однотомное издание
Шифр издания :
Автор(ы) : Сухоруков Ф. В., Дегерменджи, Андрей Георгиевич, Белолипецкий, Виктор Михайлович, Болсуновский, Александр Яковлевич, Ковалев С. И., Косолапова, Людмила Георгиевна, Мельгунов М. С., Рапута В. Ф.,
Заглавие : Закономерности распределения и миграции радионуклидов в долине реки Енисей / Ф. В. Сухоруков, А. Г. Дегерменджи, В. М. Белолипецкий и др.
Выходные данные : Новосибирск: Изд-во СО РАН; Новосибирск: Гео, 2004
Колич.характеристики :287 с.: ил; 25 см
Коллективы : Российская академия наук, Сибирское отделение РАН, Объединенный институт геологии, геофизики и минералогии СО РАН, Институт биофизики Сибирского отделения РАН, Институт вычислительного моделирования Сибирского отделения РАН, Институт вычислительной математики и математической геофизики СО РАН
Примечания : Библиогр.: с. 247-257. - Авт. указаны на обороте тит. л.
ISBN, Цена 5-7692-0697-7:
ГРНТИ : 87.19 + 34.35.33
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Nikolaeva K. M., Mikhaleva N. S., Kovaleva E. A., Kuklin A. V., Fedorov A. S.
Заглавие : Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry
Место публикации : Comput. Mater. Sci.: Elsevier, 2016. - Vol. 112, Part A. - P.269-275. - ISSN 0927-0256, DOI 10.1016/j.commatsci.2015.11.002
Примечания : Cited References: 39. - The authors would like to thank Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; and L.V. Kirensky Institute of Physics of SB RAS, Krasnoyarsk, for providing the access to their supercomputers. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
MASSLESS DIRAC FERMIONS
GRAPHENE
VACANCIES
POINTS
GAS
Ключевые слова (''Своб.индексиров.''): bigraphene--spintronics--transition metal--adsorption--migration
Аннотация: First-row transition metal atoms adsorption on bigraphene monovacancy was studied within the framework of DFT in periodic boundary conditions. Electronic and magnetic properties of composites were analyzed and their potential utilization in spintronics was discussed. Barriers of metal atoms migration from bigraphene surface to the interlayer space through the vacancy were estimated in order to consider both thermodynamic and kinetic aspects of composites experimental preparation. Formation of metal atoms inner-sorbed on bigraphene was found to demand harsh synthesis conditions; whereas outer-sorbed composites demonstrate significantly higher degree of spin polarization which makes them perspective for usage in spintronic devices. © 2015 Elsevier B.V.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shabanov V. F., Korshunov M. A.
Заглавие : Migration of molecules in p-bromochlorobenzene with vacancies in its structure
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1998. - Vol. 40, Is. 10. - P1664-1666. - ISSN 1063-7834, DOI 10.1134/1.1130630
Примечания : Cited References: 8
Аннотация: Based on polarization measurements of the low-frequency Raman spectra of p-bromochlorobenzene and calculations of the frequency spectra of lattice vibrations by the Dean method it is shown that the structure may contain vacancies. Their presence affects the appearance of additional lines in the low-frequency spectrum, particularly in the vicinity of 70 cm(-1), and their positions depend weakly on the orientational disorder of the molecules with respect to the para substituents. The activation energies for diffusion in a randomly disordered p-bromochlorobenzene crystal with vacancies in the structure is calculated from atom-atom potentials. It is shown that the value of the activation energy varies along a selected direction and depends on the arrangement of the p-bromochlorobenzene molecules with respect to the para substituents, in contrast to the results for ordered p-dibromobenzene and p-dichlorobenzene. (C) 1998 American Institute of Physics. [S1063-7834(98)01410-5].
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shabanov V. F., Korshunov M. A.
Заглавие : Manifestation of vacancies in spectra of low frequencies and the calculations of migration energy in paradichlorobenzene and paradichlorobenzene at different temperatures
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 37, Is. 11. - P.3463-3469. - ISSN 0367-3294
Примечания : Cited References: 13
Предметные рубрики: CRYSTAL
ALPHA
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. A., Shabanov V. F.
Заглавие : Calculation of the energy of admixture migration in paradibromobenzene-paradichlorobenzene mixed crystals due to low concentrations
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 37, Is. 11. - P.3505-3509. - ISSN 0367-3294
Примечания : Cited References: 11
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : SHABANOV V. F., KORSHUNOV M. A.
Заглавие : CALCULATION OF MIGRATION ENERGIES AND VACANCY GENERATION IN PARADIBROMOBENZENE AND PARADICHLOROBENZENE OF ALPHA-MODIFICATIONS AND BETA-MODIFICATIONS
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 37, Is. 3. - P745-747. - ISSN 0367-3294
Примечания : Cited References: 10
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Kretinin V. V., Begisheva O. B.
Заглавие : Magnetoelectric Effect in a Paramagnetic Region in Gd0.15Mn0.85Se
Коллективы : Russian foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); Government of the Krasnoyarsk region; Krasnoyarsk Regional Foundation for Science [18-42-240001, MK 591.2019.2, 3.5743.2017/6.7]
Место публикации : Phys. Solid State. - 2019. - Vol. 61, Is. 8. - P.1379-1382. - ISSN 1063-7834, DOI 10.1134/S1063783419080067. - ISSN 1090-6460(eISSN)
Примечания : Cited References: 16. - This work was supported by the Russian foundation for Basic Research, the Government of the Krasnoyarsk region, and Krasnoyarsk Regional Foundation for Science in the framework of the scientific project no. 18-42-240001 "Inversion of the sign of components of the magnetoelectric tensor in temperature in neodymium-substituted bismuth ferrite-garnet films," grant MK 591.2019.2, and state task no. 3.5743.2017/6.7.
Предметные рубрики: MULTIFERROICS
Аннотация: The electric polarization in a zero magnetic field and in a magnetic field of 12 kOe is measured in a GdxMn1 – xSe solid solution in the percolation concentration region in the temperature range 80–380 K. For composition x = 0.15, the polarization hysteresis and the dependence of the remanent polarization on magnetic field and temperature are determined. The hysteresis is explained in the model of migration polarization and the magnetoelectric effect is explained in the Maxwell–Wagner model.
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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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Fedorov A. S., Fedorov D. A., Eliseeva N. S., Kuzubov A. A.
Заглавие : Vacancies influence on elastic properties of graphene and their migration rate under deformation
Коллективы : "Advanced Carbon Nanostructures", Joint International Conference
Место публикации : Joint International Conference "Advanced Carbon Nanostructures" (ACN 2011): Abstracts. - 2011. - Ст.P1.09. - С. 78
Примечания : Библиогр.: 4
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