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Kovaleva, Evgenia A.,Kuzubov, Alexander A.,Avramov, Pavel V.,Kholtobina, Anastasia S.,Kuklin, Artem V.,Tomilin, Felix N.,Sorokin, Pavel B. Elsevier 2017 Computational materials science Vol.139 No.-
<P><B>Abstract</B></P> <P>Atomic and electronic structure of LSMO-based composites with carbon nanotubes were studied by means of density functional theory with respect to the termination of LSMO surface. The deformation of the tubes caused by the lattice mismatch with the substrate leads to a major change in their electronic structure. The surface terminated with Mn-O layer provides much stronger interaction with carbon nanotubes than Sr-O terminated one does. The interaction with transition metal atoms is essential for spin polarization of the nanotube while no spin injection was observed for Sr-O-supported tubes.</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
Kovaleva, E.A.,Melchakova, Iuliia,Mikhaleva, N.S.,Tomilin, F.N.,Ovchinnikov, S.G.,Baek, Woohyeon,Pomogaev, V.A.,Avramov, P.,Kuzubov, A.A. Elsevier 2019 The Journal of physics and chemistry of solids Vol.134 No.-
<P><B>Abstract</B></P> <P>Electronic structure and magnetic properties of the family of first-row transition metal dihalides (TM<I>Hal</I> <SUB>2</SUB>, TM = V, Cr, Mn, Fe, Co, Ni; H = Br, I) monolayers were studied by means of density functional theory. Strong electron correlations were taken into account by implementing Hubbard U correction in a simplified scheme proposed by Dudarev et al. (U<SUB>eff</SUB>). U<SUB>eff</SUB> correction essentially affects electronic structure of TM<I>Hal</I> <SUB>2</SUB> widening the band gap and witnessing their highly spin-polarized nature. Two different ligand orientations namely, H and T configurations of monolayers were considered. Unlike others, Fe<I>Hal</I> <SUB>2</SUB> monolayers tend to form H structure when U<SUB>eff</SUB> correction is included.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Atomic and electronic structures of TM<I>Hal</I> <SUB>2</SUB> monolayers were studied by DFT + U method. </LI> <LI> H and T configurations of monolayers were considered. </LI> <LI> Effective Hubbard U correction strongly affects properties of TM<I>Hal</I> <SUB>2</SUB> monolayers. </LI> </UL> </P>
A reliability-based criterion of structural performance for structures with linear damping
Kovaleva, Agnessa Techno-Press 2006 Smart Structures and Systems, An International Jou Vol.2 No.4
The reliability analysis of structures subjected to stochastic loading involves evaluation of time and probability of the system's residence in a reference domain. In this paper, we derive an asymptotic estimate of exit time for multi-degrees-of-freedom structural systems. The system's dynamics is governed by the Lagrangian equations with linear dissipation and fast additive noise. The logarithmic asymptotic of exit time is found explicitly as a sum of two terms dependent on kinetic and potential energy of the system, respectively. As an example, we estimate exit time and an associated structural performance for a rocking structure.
Diana Kovaleva 서울대학교러시아연구소 2008 러시아연구 Vol.18 No.2
The basis for learning a foreign language includes the methodical system which contains facilities, models and techniques of teaching. The aim of this paper is to examine the Communicative Method potential of teaching a foreign language (Russian in particular) and to analyze the work with Text in lessons in accordance with the principles of this method for example, forming linguistic competence in different types of activity: reading, listening, writing and conversation. The main task confronting a teacher, who works according to the Communicative Method, is to teach students to communicate in a foreign language. The author of this paper describes the Text as not only the structure of lexical and grammar constructions, but the whole situation including the connection of linguistic and extra-linguistic factors. Therefore it is expedient to teach a student not only to read, translate and retell a story, but also how to communicate in Russian correctly. For example, the student should learn different kinds of gestures, mimicry, intonation, lexical, and stylistic means in a concrete dialogue and genre of speech in which a spoken situation has developed. In this paper the writer analyses how to work with authentic text, educational text, speech structures, games, pre-text and post-text leaning exercises, and how to teach grammar according to the Communicative Method. Taking into account the language competence of a student, his/her interests and strategy in how to use the Russian language, the Communicative Method can be applied. Therefore this article gives information on how to organize lessons for groups with students that have different levels of knowledge in the Russian language. The textbook selection in this article has also been made on the basis of the Communicative Method.
A reliability-based criterion of structural performance for structures with linear damping
Agnessa Kovaleva 국제구조공학회 2006 Smart Structures and Systems, An International Jou Vol.2 No.4
The reliability analysis of structures subjected to stochastic loading involves evaluation of time and probability of the system residence in a reference domain. In this paper, we derive an asymptotic estimate of exit time for multi-degrees-of-freedom structural systems. The system dynamics is governed by the Lagrangian equations with linear dissipation and fast additive noise. The logarithmic asymptotic of exit time is found explicitly as a sum of two terms dependent on kinetic and potential energy of the system, respectively. As an example, we estimate exit time and an associated structural performance for a rocking structure.
Kuklin, A.,Kuzubov, A.,Kovaleva, E.,Mikhaleva, N.,Tomilin, F.,Lee, H.,Avramov, P. Royal Society of Chemistry 2017 Nanoscale Vol.9 No.2
<P>Half-metallic ferromagnetic materials with planar forms are promising for spintronics applications. A wide range of 2D lattices like graphene, h-BN, transition metal dichalcogenides, etc. are non-magnetic or weakly magnetic. Using first principles calculations, the existence of graphene-like hexagonal chromium nitride (h-CrN) with an almost flat atomically thin structure is predicted. We find that freestanding h-CrN has a 100% spin-polarized half-metallic nature with possible ferromagnetic ordering and a high rate of optical transparency. As a possible method for stabilization and synthesis, deposition of h-CrN on 2D MoSe2 or on MoS2 is proposed. The formation of composites retains the half-metallic properties and leads to the reduction of spin-down band gaps to 1.43 and 1.71 eV for energetically favorable h-CrN/MoSe2 and h-CrN/MoS2 configurations, respectively. Calculation of the dielectric functions of h-CrN, h-CrN/MoSe2 and h-CrN/MoS2 exhibit the high transparency of all three low-dimensional nanomaterials. The honeycomb CrN may be considered as a promising fundamental Half-2D material for a variety of potential applications of critical importance.</P>
Kuklin, Artem V.,Kuzubov, Alexander A.,Kovaleva, Evgenia A.,Lee, Hyosun,Sorokin, Pavel B.,Sakai, Seiji,Entani, Shiro,Naramoto, Hiroshi,Avramov, Paul Elsevier 2017 Journal of magnetism and magnetic materials Vol.440 No.-
<P><B>Abstract</B></P> <P>Induced spin polarization of π-conjugated carbon and <I>h</I>-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and <I>h</I>-BN nanoribbons on MnO<SUB>2</SUB>-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11μ<SUB>B</SUB>. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the <I>h</I>-BN nanoribbon band gap from 4.04 to 1.72eV in spin-up channel and converts the <I>h</I>-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and <I>h</I>-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications.</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
Polypropylene Glycol Maleate Phthalate Terpolymerization with Acrylamide and Acrylic Acid
M. Zh. Burkeyev,A. K. Kovaleva,G. K. Burkeyeva,Ye. M. Tazhbayev,J. Plocek 한국고분자학회 2020 폴리머 Vol.44 No.2
The possibility of synthesizing new multifunctional terpolymers based on polypropylene glycol maleate phthalate with acrylamide and acrylic acid was shown. The basic laws of the process of radical terpolymerization in a dioxane medium were studied at various molar ratios of the reactants. The block length, transition probabilities, and Harwood block parameter of the terpolymers synthesized, which reflect information on the location of macroradicals in the chain, were calculated. The radical terpolymerization constants, indicating the possibility of copolymers to form structures with a free distribution of units, were calculated with the help of the Mayo-Lewis equation. The method of scanning electron microscopy was used to study the surface morphology of polymers and to evaluate the surface pore sizes. There were carried out investigations on the effect of pH of the medium and organic solvents on the degree of swelling of the samples studied. Using thermogravimetric analysis, the thermal decomposition of the synthesized terpolymer based on polypropylene glycol maleate phthalate with acrylamide and acrylic acid was studied. The features of mass loss and thermal transformations upon heating were revealed. It was found that the process of thermal degradation intensified in the range of 339-428 °С with the maximum weight loss of the sample ~78.64%.
Baek, Woohyeon,Gromilov, Sergey A.,Kuklin, Artem V.,Kovaleva, Evgenia A.,Fedorov, Alexandr S.,Sukhikh, Alexander S.,Hanfland, Michael,Pomogaev, Vladimir A.,Melchakova, Iuliia A.,Avramov, Paul V.,Yusen American Chemical Society 2019 NANO LETTERS Vol.19 No.3
<P>For the first time, lonsdaleite-rich impact diamonds from one of the largest Popigai impact crater (Northern Siberia) with a high concentration of structural defects are investigated under hydrostatic compression up to 25 GPa. It is found that, depending on the nature of a sample, the bulk modulus for lonsdaleite experimentally obtained by X-ray diffraction in diamond-anvil cells is systematically lower and equal to 93.3-100.5% of the average values of the bulk moduli of a diamond matrix. Density functional theory calculations reveal possible coexistence of a number of diamond/lonsdaleite and twin diamond biphases. Among the different mutual configurations, separate inclusions of one lonsdaleite (001) plane per four diamond (111) demonstrate the lowest energy per carbon atom, suggesting a favorable formation of single-layer lonsdaleite (001) fragments inserted in the diamond matrix. Calculated formation energies and experimental diamond (311) and lonsdaleite (331) powder X-ray diffraction patterns indicate that all biphases could be formed under high-temperature, high-pressure conditions. Following the equation of states, the bulk modulus of the diamond (111)/lonsdaleite (001) biphase is the largest one among all bulk moduli, including pristine diamond and lonsdaleite.</P> [FIG OMISSION]</BR>