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RISS 인기검색어
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- 저자 : A. OVCHINNIKOV (검색결과 4 건)
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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>
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KTM TOKAMAK OPERATION SCENARIOS SOFTWARE INFRASTRUCTURE
Pavlov, V.,Baystrukov, K.,Golobokov, Yu.,Ovchinnikov, A.,Mezentsev, A.,Merkulov, S.,Lee, A.,Tazhibayeva, I.,Shapovalov, G. Korean Nuclear Society 2014 Nuclear Engineering and Technology Vol.46 No.5
One of the largest problems for tokamak devices such as Kazakhstan Tokamak for Material Testing (KTM) is the operation scenarios' development and execution. Operation scenarios may be varied often, so a convenient hardware and software solution is required for scenario management and execution. Dozens of diagnostic and control subsystems with numerous configuration settings may be used in an experiment, so it is required to automate the subsystem configuration process to coordinate changes of the related settings and to prevent errors. Most of the diagnostic and control subsystems software at KTM was unified using an extra software layer, describing the hardware abstraction interface. The experiment sequence was described using a command language. The whole infrastructure was brought together by a universal communication protocol supporting various media, including Ethernet and serial links. The operation sequence execution infrastructure was used at KTM to carry out plasma experiments.
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KTM Tokamak Operation Scenarios Software Infrastructure
V. PAVLOV,K. BAYSTRUKOV,YU. GOLOBOKOV,A. OVCHINNIKOV,A. MEZENTSEV,S. MERKULOV,A. LEE,I. TAZHIBAYEVA,G. SHAPOVALOV 한국원자력학회 2014 Nuclear Engineering and Technology Vol.46 No.5
One of the largest problems for tokamak devices such as Kazakhstan Tokamak for Material Testing (KTM) is theoperation scenarios’ development and execution. Operation scenarios may be varied often, so a convenient hardwareand software solution is required for scenario management and execution. Dozens of diagnostic and control subsystemswith numerous configuration settings may be used in an experiment, so it is required to automate the subsystemconfiguration process to coordinate changes of the related settings and to prevent errors. Most of the diagnostic andcontrol subsystems software at KTM was unified using an extra software layer, describing the hardware abstractioninterface. The experiment sequence was described using a command language. The whole infrastructure was brought together by a universal communication protocol supporting various media,including Ethernet and serial links. The operation sequence execution infrastructure was used at KTM to carry outplasma experiments.
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Smyslov, Ruslan Yu,Tomilin, Felix N.,Shchugoreva, Irina A.,Nosova, Galina I.,Zhukova, Elena V.,Litvinova, Larisa S.,Yakimansky, Alexander V.,Kolesnikov, Ilya,Abramov, Igor G.,Ovchinnikov, Sergei G.,Av Elsevier 2019 Polymer Vol.168 No.-
<P><B>Abstract</B></P> <P>Using Suzuki and Yamamoto coupling reactions, copoly-(9,9-dioctylfluorenes) (<B>CPF</B>) were synthesized and compared regarding their photophysical properties using the spectroscopic and <I>ab initio</I> DFT approaches. The CPFs were functionalized by benzo [2,3,5] thiadiazole (<B>BT</B>) or carbazole-3,6-diyl (3,6-Cz). The latter was used to introduce different luminophore fragments, including Nile red and 4-pyrrolidinyl-1,8-naphthalimide derivatives. The effect of the two synthesis techniques on the polymer microstructure, the influence of embedding of 3,6-Cz moieties in the polymer backbone on polymer structuring, and the impact of the end groups like novel quinoxaline-containing compounds on the luminescent properties of CPFs were investigated. By comparing electron density distribution using the <I>ab initio</I> DFT approach with photoluminescence, it was shown that Suzuki reaction provides a chain microstructure with individual BT fragments separated by 9,9-dioctylfluorene monomeric units, while Yamamoto reaction leads to the blocks of BT units. This effect leads to different CPF photophysical properties (absorption and emission spectra).</P> <P><B>Highlights</B></P> <P> <UL> <LI> Light-emitted copolyfluorenes were obtained using Suzuki and Yamamoto reactions. </LI> <LI> Yamamoto coupling leads in the microblock chain structure of conjugated polymer. </LI> <LI> Suzuki coupling allows the alternating comonomeric copolyfluorene chain. </LI> <LI> End groups rule photoluminescence properties of copolyfluorenes. </LI> <LI> Naphthalbenzimidazole group provides FRET from fluorene to Nile red. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
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