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ДИФФУЗИОННОЕ ВЗАИМОДЕЙСТВИЕ СИЛИЦИДОВ МОЛИБДЕНА СО СПЛАВОМ Э110
Поверхность. Рентгеновские, синхротронные и нейтронные исследования. 2022. № 1. С. 63–74.
Гнесин И. Б.
In this work, the kinetics of diffusion interaction of the molybdenum silicides Mo5Si3 + MoSi2 alloy with the zirconium-based E110 alloy is experimentally investigated. The structure and phase composition of diffusion couples subjected to vacuum annealing at 1100, 1200, and 1300°C for 3, 6, and 9 hours have been studied by scanning electron microscopy and energy-dispersive X-ray spectroscopy. In the entire investigated range of temperatures and durations of annealing, zirconium silicides are formed as a result of diffusion interaction at the interface between the molybdenum silicides and zirconium. The silicon diffusion into zirconium is the main diffusion process during the interaction between the zirconium-based alloy and the molybdenum silicides. Signs of the diffusion of the zirconium into molybdenum silicides were not found, the diffusion of molybdenum into zirconium is significantly limited. The features of the structure and chemical composition of silicide phases formed in the region of diffusion interaction have been revealed. A comparative analysis of the microstructure of the regions of diffusion interaction of silicides Mo5Si3 and MoSi2 with a zirconium alloy is carried out. The effective kinetic parameters of the diffusion interaction at different temperatures, as well as the parameters of the temperature dependence of the effective parabolic constant of the growth of the layer of intermediate phases, arising during the annealing of diffusion couples, are determined.
Fominykh N., Stegailov V., Journal of Chemical Physics 2025 Vol. 163 No. 11 Article 114704
First-principles modeling of exciton dynamics coupled with lattice vibrations is important for understanding exciton mobility, which is crucial for various applications. In order to shed light on such coupled exciton–lattice dynamics, in this paper, we use a restricted open-shell Kohn–Sham approach, which is a computationally efficient method for electronic structure calculations in the lowest excited ...
Added: September 16, 2025
Ivchenko N., Lebedev V., Vergeles S. S., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2024 Vol. 110 No. 1 Article 015102
Chaotic variations in flow speed up mixing of scalar fields via intensified stirring. This paper addresses the statistical properties of a passive scalar field mixing in a regular shear flow with random fluctuations against its background. We consider two-dimensional flow with shear component dominating over smooth fluctuations. Such flow is supposed to model passive scalar ...
Added: September 3, 2024
Khnkoian G. V., Nikolaev V. S., Stegailov V., Journal of Nuclear Materials 2024 Vol. 594 Article 155016
Microscopic description of solid Pb-O formation and dissolution in liquid lead coolant is important for the modelling of fast neutron reactors. For this purpose, in this work we develop interatomic potential models for lead melt with dissolved oxygen. Potentials fitting is based on \textit{ab initio} density functional theory (DFT) calculations and quantum molecular dynamics. Two ...
Added: April 18, 2024
Ivchenko N., Vergeles S. S., Журнал экспериментальной и теоретической физики 2023 Т. 163 № 5 С. 724–733
We study statistical properties of the passive scalar advection in a 2D flow that consist of a steady-state shear flow and a relatively weak smooth random component taking into account the effects of finite weak diffusion. The model is closely related to the dynamics of passive scalar transfer inside coherent vortices emerging as a result ...
Added: February 15, 2024
Privalov A., Vitaly V. Sinitsyn, Vogel M., The Journal of Physical Chemistry Letters 2023 Vol. 14 No. 30 P. 9335–9340
We use 1H and 17O NMR static field gradient diffusometry to measure self-diffusion coefficients of protons (DH) and oxygens (DO) in Nafion 212 with various hydration levels (λ = 4–18). For all samples and both nuclei, we obtain activation energies (Ea) of ≈0.19 eV. Analyzing the hydration-level dependence of DH and DO, we find DO/DH ≈ 1 at λ ≈ 18, resembling ...
Added: October 13, 2023
Darya Gurina, Ekaterina Odintsova, Krestyaninov M. A. et al., Journal of Molecular Liquids 2023 Vol. 390 No. A Article 122961
The paper presents a study of the behavior of room-temperature ionic liquids with different alkyl chain lengths and anion types in slit negatively charged carbon nanopores of various widths (1÷15 nm) using all-atom molecular dynamics simulations. The structure of the confined ionic liquids is investigated using number, mass, and charge density profiles and radial distribution ...
Added: August 31, 2023
Antropov A., Stegailov V., Journal of Nuclear Materials 2023 Vol. 573 Article 154123
The influence of helium pressure on the mechanisms of diffusion of the He-filled nanobubbles in fcc Al is investigated by the classical molecular dynamics. It is shown that at pressures <20 kbar gas suppresses self-diffusion, while the concentration of adatoms, rather than their mobility, plays a key role. However, as the pressure increases to values at which ...
Added: February 1, 2023
Дещеня В. И., Kondratyuk N., Ланкин А. В. et al., Журнал физической химии 2022 Т. 96 № 3 С. 373–380
The temperature dependence of density is calculated for an aqueous solution of sucrose by the molecular dynamics method. The coefficients of viscosity and diffusion are also obtained in the 273–343 K range of temperatures. The hydrodynamic radius of a sucrose molecule in an aqueous solution is calculated. The obtained data are compared with the experimental ...
Added: October 24, 2022
Galitskaya E., Privalov A., Weigler M. et al., Journal of Membrane Science 2020 Vol. 596 Article 117691
It is established that the values of the coefficients of self-diffusion of water in proton-exchange membranes at a fixed temperature and the amount of moisture content depend on the method of membrane manufacture, the length of the side chain (diameter of channels), but within the experimental error do not depend on the thickness of the ...
Added: October 12, 2022
Deshchenya V. I., N. D. Kondratyuk, Lankin A. V. et al., Journal of Molecular Liquids 2022 Vol. 367 Article 120456
In this work, we study the applicability of the equilibrium molecular dynamics methods for the prediction of both static and dynamic properties of sucrose aqueous solution for various concentrations and temperatures.
The OPLS-AA force field with 1.14*CM1A charge corrections is used to describe the interactions in the model.
We analyze the prediction power of the model against ...
Added: August 9, 2022
Kliavinek S. S., Kolotova L., Journal of Non-Crystalline Solids 2021 Vol. 571 P. 121052
The glass transition of supercooled Zr Nb melt was studied by molecular dynamics modeling. Glass transition temperature was determined using by different criteria such as change of the heat capacity, diffusion coefficient and viscosity, the obtained data are in good agreement with each other. It is shown, that elastic modulus rise with the decrease ...
Added: January 28, 2022
Yu K. B., Bowers G. M., Loganathan N. et al., Energy & Fuels 2021 Vol. 35 No. 20 P. 16515–16526
As global energy demand increases, natural gas recovery from source rocks is attracting considerable attention since recent development in shale extraction techniques has made the recovery process economically viable. Kerogens are thought to play an important role in gas recovery; however, the interactions between trapped shale gas and kerogens remain poorly understood due to the ...
Added: November 3, 2021
Букатин А. С., Mukhin M., Мухин И. С., СПб.: Издательско-полиграфическая ассоциация высших учебных заведений, 2021.
В настоящее время активно развивается направление разработки и соз- дания портативных устройств экспресс-анализа биологических проб для биомедицинской диагностики и экологического мониторинга. Во многих из них используются разнообразные микрофлюидные устройства и тех- нологии, обеспечивающие возможность уникальных исследований, в том числе на уровне единичных клеток и молекул. Разработка и создание микрофлюидных устройств является достаточно сложной задачей, требующей ...
Added: October 29, 2021
Yastrebinsky R. N., Bondarenko G.G., Pavlenko V. I. et al., Inorganic Materials: Applied Research 2021 Vol. 12 No. 5 P. 1206–1213
Diffusion-thermal phase transformations in modified titanium hydride containing a multi-barrier
system of hydrogen traps are considered. Modification of titanium hydride was carried out by the method of
layer-by-layer electrochemical precipitation of metallic titanium and copper from organic and inorganic
solutions of their salts. The creation of a multilayer coating (Ti–Cu) on the surface of the titanium hydride by
the ...
Added: October 6, 2021
Khokhlov N., Васильев А. М., Беличенко А. А. et al., Международные процессы 2021 Т. 19 № 2 С. 21–49
Our analysis allows us to talk about two waves of the echo of the Arab spring in Western Europe. The first wave was observed in 2011 and was expressed in the explosive growth of mainly peaceful protests. Taking into account the data on the direct impact of the events of the Arab Spring on the ...
Added: August 24, 2021
Veretennikov A., , in: Сборник материалов V-й Международной конференции по стохастическим методам: The 5th International Conference on Stochastic Methods (ICSM5). 23-27 November 2020, Russia, Moscow.: M.: RUDN, 2020. P. 242–252.
Positive recurrence of one-dimensional diffusion with switching with an additive Wiener process and with one recurrent and one transient regime is established under suitable conditions on the drift in both regimes and on the intensities of switching. ...
Added: January 27, 2021
Glazov M., Physical Review B: Condensed Matter and Materials Physics 2019 Vol. 100 P. 034703-1–034703-13
We study theoretically the nonequilibrium exciton transport in monolayer transition metal dichalcogenides. We consider the situation where excitons interact with nonequilibrium phonons, e.g., under the conditions of localized excitation where a “hot spot” is formed. We develop the theory of the exciton drag by the phonons and analyze in detail the regimes of diffusive propagation ...
Added: January 13, 2021
Glazov M., Physical Review Letters 2020 Vol. 124 P. 166802
We study theoretically weak localization of excitons in atomically thin transition metal dichalcogenides. The constructive interference of excitonic de Broglie waves on the trajectories forming closed loops results in a decrease of the exciton diffusion coefficient. We calculate the interference contribution to the diffusion coefficient for the experimentally relevant situation of exciton scattering by acoustic ...
Added: January 13, 2021
Akaliyski P., European Journal of Political Research 2019 Vol. 58 No. 2 P. 388–411
The European Union (EU) is considered to be a unique economic and political union that integrates most European countries. This article focuses on the cultural aspect of European integration, which has been increasingly debated over the course of deepening and widening integration and in the context of the legitimation crisis of the EU. Among the ...
Added: September 23, 2020
Chekmazov S. V., Smirnov A. A., Ksenz A. S. et al., Materials Letters 2019 Vol. 240 P. 69–72
Defects in crystal structure of layered material can modify the surface states. Ion bombardment is a simple way to introduce defects into a crystal lattice in the surface region. Comprehensive scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and photoemission studies are presented to uncover the impact of ion etching and thermal annealing on the ...
Added: December 13, 2019
Yurova P., Yaroslavtsev A. B., Караванова Ю. А. et al., Мембраны и мембранные технологии 2014 Т. 4 № 1 С. 26–30
Asymmetric membrane materials based on MK-40 membranes modified with a thin layer of perfluorinated ion exchangers MF-4SK with embedded polyaniline were obtained. The diffusion characteristics of the obtained composites are investigated. An abnormal asymmetry of ion transport in a neutral medium was detected. The diffusion coefficients of individual cations for membranes with mixed cation composition ...
Added: November 13, 2019
Дмитриев И. П., Zamyatina E., Прикладная информатика 2019 Т. 14 № №1(79) С. 82–95
This article is devoted to a preventing of harmful information spreading in social networks. Currently,
social networks are widespread. Their popularity is growing every day. For this reason, they can be
used not only by managers and marketers for the dissemination of advertising, product promotion,
but also attackers for the dissemination of prohibited information. So it is necessary ...
Added: November 6, 2019
Omelchenko A., Петров М. И., Липовский А. А., Письма в Журнал технической физики 2010 Т. 36 № 22 С. 9–16
На основе совместного решения уравнений диффузии и Пуассона рассмотрена обобщенная задача о переносе положительных ионов в диэлектриках под действием электрического поля при наличии диффузии и потока входящих в среду положительных носителей с другой подвижностью. Получены строгая система уравнений и ее численное решение для случаев существенного отличия подвижностей носителей заряда, что соответствует поляризации стекол, и несущественного ...
Added: September 17, 2018
Novikov S.V., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2018 Vol. 98 No. 1 P. 012128-1– 012128-8
We demonstrate that the Einstein relation for the diffusion of a particle in the random-energy landscape with the
Gaussian density of states is an exclusive one-dimensional property and does not hold in higher dimensions. We
also consider the analytical properties of the particle velocity and diffusivity for the limit of weak driving force and
establish a connection between ...
Added: July 23, 2018