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Thermoelectric properties and cost optimization of spark plasma sintered n-type Si0.9Ge0.1 - Mg2Si nanocomposites / A. Usenko [et al.] // Scripta Mater. - 2018. - Vol. 146. - P. 295-299, DOI 10.1016/j.scriptamat.2017.12.019. - Cited References: 28. - This work was supported by Russian Science Foundation (project No. 16-13-00060). Part of the work (structural characterization of the samples) was carried out with financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST “MISiS”. Partial support by Act 211 Government of the Russian Federation, contract # 02.A03.21.0011, is also acknowledged. . - ISSN 1359-6462
Кл.слова (ненормированные):
Cost optimization -- Lattice thermal conductivity -- Magnesium silicides -- Spark plasma -- Thermo-Electric materials -- Thermoelectric figure of merit -- Thermoelectric performance -- Thermoelectric properties
Аннотация: We report on thermoelectric properties of low Ge content n-type Si0.9Ge0.1–Mg2Si nanocomposite. Introduction of the Mg2Si phase into a SiGe matrix resulted in a dramatic drop of the lattice thermal conductivity beyond the previously reported lowest limit for SiGe alloys due to intensification of phonon scattering on SiGe–Mg2Si grain boundaries. For a sample doped with 1 at.% of Mg2Si, the peak value of thermoelectric figure of merit ZT reached ~ 0.8 at 800 °C. Sintered nanocomposites still exhibit high thermoelectric performance while being almost two times cheaper than Si0.8Ge0.2.

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Держатели документа:
National University of Science and Technology “MISiS”, Moscow, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
National Research South Ural State University, Chelyabinsk, Russian Federation

Доп.точки доступа:
Usenko, A.; Moskovskikh, D.; Korotitskiy, A.; Gorshenkov, M.; Zakharova, E.; Fedorov, A. S.; Федоров, Александр Семенович; Parkhomenko, Y.; Khovaylo, V.
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    Strong Electron Correlations Determine Energetic Stability and Electronic Properties of Er-Doped Goldberg-Type Silicon Quantum Dots / P. V. Avramov [et al.] // J. Phys. Chem. C. - 2009. - Vol. 113, Is. 36. - P. 15964-15968, DOI 10.1021/jp904996e. - Cited Reference Count: 43. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Tcchnology Agency (JST) and a collaborative RFBR-JSPS Grant 0902-92107-Phi. One of the authors (S.I.) also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. - Финансирующая организация: Japan Science and Tcchnology Agency (JST); RFBR-JSPS Grant; Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan . - SEP 10. - ISSN 1932-7447
Рубрики:
IMPLANTED POROUS SILICON
   AUGMENTED-WAVE METHOD
   MU M LUMINESCENCE
   SI NANOCRYSTALS
   THIN-FILMS
   BASIS-SET
   ERBIUM
   PHOTOLUMINESCENCE
   DENSITY
   PSEUDOPOTENTIALS
Кл.слова (ненормированные):
Ab initio -- Atomic structure -- Density functionals -- Empirical pseudo-potential -- Endohedrals -- Energetic stability -- Er-doped -- Erbium complexes -- Erbium ion -- Experimental data -- Hartree-fock -- Many body perturbation theory -- Mass centers -- Perturbation approach -- Plane wave -- Pseudopotentials -- Quantum Dot -- Silicon quantum dots -- Strong binding -- Strong electron correlations -- Theoretical result -- Crystal atomic structure -- Electron correlations -- Electron density measurement -- Electronic properties -- Electronic structure -- Erbium -- Perturbation techniques -- Structural optimization -- Semiconductor quantum dots
Аннотация: Atomic and electronic structures of Goldberg-type silicon quantum dots and their endohedral erbium complexes were studied using ab initio and plane wave pseudopotential density functional and Moller-Plesset many-body perturbation theories. During atomic structure optimizations, the erbium ions occupy mass centers inside the central hollows of quantum dots of different symmetries. It was found that strong electron correlations within the Er 4f shell taken into account by empirical pseudopotential and post-Hartree-Fock perturbation approaches are responsible for strong binding of Er ions to quantum dots. We elucidate the effects of symmetry and discuss theoretical results in comparison to available experimental data,

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http://pubs.acs.org/doi/abs/10.1021/jp904996e.
Держатели документа:
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, D. G.; Irle, S.; Morokuma, K.
}
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    Bulgakov, E. N.
    Q-factor optimization in dielectric oligomers / E. N. Bulgakov, D. N. Maksimov // Phys. Rev. A. - 2019. - Vol. 100, Is. 3. - Ст. 033830, DOI 10.1103/PhysRevA.100.033830. - Cited References: 43. - This work was supported by the Ministry of Higher Education and Science of the Russian Federation (State Contract No. 3.1845.2017/4.6). . - ISSN 2469-9926. - ISSN 2469-9934
   Перевод заглавия: Оптимизация добротности в диэлектрических олигомерах

РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
FOURIER MODAL METHOD
   PHOTONIC CRYSTAL
   BOUND-STATES
   ENHANCEMENT
Аннотация: In this paper we propose an optimization procedure for quality-factor (Q-factor) enhancement in dielectric oligomers. The oligomers are introduced as linear periodic chains of dielectric elements the individual Q factors of which are optimized via multipolar conversion in an avoided crossing of two resonant eigenfrequencies. It is demonstrated that when such dielectric elements are assembled into an infinite periodic array the coupling between individual resonances gives rise to an in-Γ optical bound state in the continuum (BIC) unprotected by symmetry. By setting up the oligomers of finite numbers of dielectric elements we observe high quality resonances which occur as traces of the infinite array band structure. The resulting high quality resonances exhibit light localization spots of a few squared wavelengths with Q factors Q ˃10 4. The localization is provided by similarity of the field pattern to that of the BIC with the losses at the edges of the array suppressed due to an almost flat BIC host band. The scaling law of the Q factor against the dielectric permittivity is derived.

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Держатели документа:
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.
RAS, Kirensky Inst Phys, Fed Res Ctr KSC SB, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Maksimov, D. N.; Максимов, Дмитрий Николаевич; Булгаков, Евгений Николаевич; Ministry of Higher Education and Science of the Russian FederationMinistry of Education and Science, Russian Federation [3.1845.2017/4.6]
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Peculiarities of Intelligence Optimization of a Microstrip Filter on Folded Dual-mode Resonators [Text] / I. A. Dovbysh, V. V. Tyurnev // Progress in Electromagnetics Research Symposium Proceedings (PIERS 2009). - 2009. - P. 1161-1163

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Доп.точки доступа:
Dovbysh, I.A.; Tyurnev, V. V.; Progress In Electromagnetics Research Symposium(26 ; 2009 ; Aug. ; 18-21 ; Moscow)
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Optimization of the contrast, brightness, and modulation amplitude of light in electrooptic devices based on polymer-encapsulated ferroelectric liquid crystals / V. Y. Zyryanov [et al.] // Tech. Phys. Lett. - 1998. - Vol. 24, Is. 6. - P. 483-484, DOI 10.1134/1.1262154. - Cited References: 6 . - ISSN 1063-7850

РУБ Physics, Applied

Аннотация: An analysis is made of the relations connecting the maximum optical transmittance, the light modulation amplitude, and the contrast in a polymer-encapsulated ferroelectric liquid-crystal device to the geometry of device and the tilt angle theta of the director. The correctness of the calculations is confirmed by their agreement with experimental measurements. (C) 1998 American Institute of Physics. [S1063-7850(98)02806-7].

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk, Russia
ИФ СО РАН

Доп.точки доступа:
Zyryanov, V. Y.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Сморгон, Сергей Леонидович; Shabanov, A. V.; Шабанов, Александр Васильевич; Pozhidaev, E. P.
}
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Optimization of the contrast and transmittance in one-polarizer PDFLC cells / V. Ya. Zyryanov, S. L. Smorgon, V. F. Shabanov [et al.] // Proceedings of the international display research conference "Asia Display'98". - 2009. - P. 1037-1039

Доп.точки доступа:
Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Shabanov, V. F.; Шабанов, Василий Филиппович; Pozhidaev, E. P.; Andreev, A. L.; Kompanets, I. N.; Shin, S. T.; international display research conference "Asia Display'98"(18 ; 1998 ; Nov. 13 ; Seoul, Korea); Asia Display(18 ; 1998 ; Nov. 13 ; Seoul, Korea)
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Fedorov, A. S.
Optimization of the calculations of the electronic structure of carbon nanotubes / A. S. Fedorov, P. B. Sorokin // Phys. Solid State. - 2005. - Vol. 47, Is. 11. - P. 2196-2202, DOI 10.1134/1.2131167. - Cited References: 19 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
MOLECULAR-DYNAMICS
ELASTIC PROPERTIES
TUBES
Аннотация: A method is proposed for calculating the electronic structure and physical properties (in particular, Young's modulus) of nanotubes, including single-walled carbon nanotubes. This method explicitly accounts for the periodic boundary conditions for the geometric structure of nanotubes and makes it possible to decrease considerably (by a factor of 10-10(3)) the time needed to calculate the electronic structure with minimum error. In essence, the proposed method consists in changing the geometry of the structure by partitioning nanotubes into sectors with the introduction of the appropriate boundary conditions. As a result, it becomes possible to reduce substantially the size of the unit cell of the nanotube in two dimensions, so that the number of atoms in a new unit cell of the modified nanotube is smaller than the number of atoms in the initial unit cell by a factor equal to an integral number. A decrease in the unit cell size and the corresponding decrease in the number of atoms provide a means for drastically reducing the computational time, which, in turn, substantially decreases with an increase in the degree of partition, especially for nanotubes with large diameters. The results of the calculations performed for carbon and non-carbon (boron nitride) nanotubes demonstrate that the electronic structures, densities of states, and Young's moduli determined within the proposed approach differ insignificantly from those obtained by conventional computational methods. (c) 2005 Pleiades Publishing, Inc.

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Держатели документа:
Russian Acad Sci, Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Sorokin, P. B.; Федоров, Александр Семенович
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Optimization of steel-surface hardening by carbon nanostructures followed by treatment with hIgh-intensity energy sources / G. S. Bocharov [et al.] // J. Surf. Invest. - 2018. - Vol. 12, Is. 1. - P. 27-32, DOI 10.1134/S102745101801007X. - Cited References: 14. - This study was supported by the Russian Science Foundation, project no. 16-19-10027. . - ISSN 1027-4510
Кл.слова (ненормированные):
metal surface hardening -- carbon nanomaterials -- laser irradiation -- electron-beam treatment -- microhardness
Аннотация: The effect whereby a steel surface is modified by its covering with a nanocarbon material followed by fast electron- or laser-beam irradiation is studied. The initial material is low-carbon steel. Soot produced via the thermal sputtering of graphite electrodes in an electric arc with the subsequent extraction of fullerenes is used as the nanocarbon coating. Due to the fact that nanocarbon-coated samples are irradiated with a 60-keV electron beam, the material microhardness enhances considerably. The dependence between the microhardness and the irradiation energy is nonmonotonic and reaches its maximum (about 600 ± 20 HV) under the condition that the electron-irradiation energy is 460 J/cm2 and the intensity is 1.53 kW/cm2. This corresponds to a fourfold increase in the microhardness. Electron-beam irradiation of the treated surface is accompanied by a 1.5–2-fold decrease in the friction coefficient. Experimental results are compared with data obtained under laser irradiation of the nanocarbon-coated steel surface.

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Публикация на русском языке Оптимизация упрочнения стальной поверхности углеродными наноструктурами с последующей обработкой высокоинтенсивными источниками [Текст] / Г. С. Бочаров [и др.] // Поверхность. - 2018. - № 1. - С. 33-39

Держатели документа:
National Research University “Moscow Power Engineering Institute”, Moscow, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Bocharov, G. S.; Eletskii, A. V.; Zakharenkov, A. V.; Zilova, O. S.; Sliva, A. P.; Terentyev, E. V.; Fedorovich, S. D.; Churilov, G. N.; Чурилов, Григорий Николаевич
}
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Optimization of photothermal methods for laser hyperthermia of malignant cells using bioconjugates of gold nanoparticles / V. S. Gerasimov [et al.] // Colloid J. - 2016. - Vol. 78, Is. 4. - P. 435-442, DOI 10.1134/S1061933X16040050. - Cited References: 33. - This work was supported by the Ministry of Education and Science of the Russian Federation (contract no. 14.607.21.0104 RFMEFI60714X0104) (Section 3) and the State Assignment of the Ministry of Education and Science of the Russian Federation for Siberian Federal University (contract no. 1792) (Section 2). The numerical calculations were performed using the MVS-1000 M cluster at the Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences. . - ISSN 1061-933X

РУБ Chemistry, Physical
Рубрики:
THERMAL THERAPY
   PLASMONIC NANOPARTICLES
   OPTICAL-PROPERTIES
   TUMOR-CELLS
   CARCINOMA
   CLUSTERS
   CANCER
Аннотация: Selective action of laser radiation on membranes of malignant cells has been studied in different regimes using conjugates of gold nanoparticles with oligonucleotides by the example of DNA aptamers. Under the conditions of a contact between a bioconjugate and a cell surface and the development of substantial and rapidly relaxing temperature gradients near a nanoparticle, the membranes of malignant cells alone are efficiently damaged due to the local hyperthermia of a cellular membrane. It has been shown that employment of pulsed instead of continuous wave laser radiation provides the localization of the damaging action, which does not involve healthy cells. © 2016, Pleiades Publishing, Ltd.

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Публикация на русском языке Оптимизация фототермических методов лазерной гипертермии злокачественных клеток с применением биоконъюгатов золотых наночастиц [Текст] / В. С. Герасимов [и др.] // Коллоид. журн. : Наука, 2016. - Т. 78 № 4. - С. 417–425

Держатели документа:
Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk, Russian Federation
Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/44, Krasnoyarsk, Russian Federation
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, Russian Federation
Reshetnev State Siberian State Aerospace University, pr. Gazety “Krasnoyarskii rabochii” 31, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Gerasimov, V. S.; Герасимов, Валерий Сергеевич; Ershov, A. E.; Ершов, Александр Евгеньевич; Karpov, S. V.; Карпов, Сергей Васильевич; Polyutov, S. P.; Semina, P. N.; Семина, Полина Николаевна
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10.

Optimization of light modulation characteristics of polarizer-free PDFLC cells / V. Ya. Zyryanov, S. L. Smorgon, V. F. Shabanov [et al.] // 9th International Symposium "Advanced Display Technologies : basic studies of problems in information display" (FLOWERS 2000) : abstracts. - 2000. - P44-45 ; Proceedings of SPIE - The International Society for Optical Engineering. - 2001. - Vol. 4511

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Доп.точки доступа:
Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Shabanov, V. F.; Шабанов, Василий Филиппович; Pozhidaev, E. P.; Andreev, A. L.; Kompanets, I. N.; Maltese, P.; Haase, W.; "Advanced Display Technologies : basic studies of problems in information display", International Symposium(9 ; 2000 ; 10-12 Oct. ; Moscow, Russia)

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