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    Infrared bound states in the continuum: random forest method / M. S. Molokeev, A. S. Kostyukov, A. E. Ershov [et al.] // Opt. Lett. - 2023. - Vol. 48, Is. 17. - P. 4460-4463, DOI 10.1364/OL.494629. - Cited References: 42. - Ministry of Science and Higher Education of the Russian Federation (FSRZ-2023-0006) . - ISSN 0146-9592. - ISSN 1539-4794
   Перевод заглавия: Инфракрасные связанные состояния в континууме: метод случайного леса
Кл.слова (ненормированные):
Field enhancement -- Infrared radiation -- Neural networks -- Refractive index -- Second harmonic generation -- Subwavelength gratings
Аннотация: In this Letter, we consider optical bound states in the continuum (BICs) in the infrared range supported by an all-dielectric metasurface in the form of subwavelength dielectric grating. We apply the random forest machine learning method to predict the frequency of the BICs as dependent on the optical and geometric parameters of the metasurface. It is found that the machine learning approach outperforms the standard least square method at the size of the dataset of ≈4000 specimens. It is shown that the random forest approach can be applied for predicting the subband in the infrared spectrum into which the BIC falls. The important feature parameters that affect the BIC wavelength are identified.

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Держатели документа:
IRC SQC, Siberian Federal University, Krasnoyarsk, 660041, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Tyumen, 625003, Russia
Institute of Computational Modelling SB RAS, Krasnoyarsk, 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Kostyukov, A. S.; Ershov, A. E.; Maksimov, D. N.; Максимов, Дмитрий Николаевич; Gerasimov, V. S.; Polyutov, S. P.
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Bulgakov, E. N.
Optical coupled-mode theory for dielectric solids of revolution / E. N. Bulgakov, D. N. Maksimov, A. E. Ershov // Phys. Rev. A. - 2023. - Vol. 107, Is. 4. - Ст. 043506, DOI 10.1103/PhysRevA.107.043506. - Cited References: 33. - This work received financial support through Russian Science Foundation Grant No. 22-72-00102 . - ISSN 2469-9926. - ISSN 2469-9934
Аннотация: We propose a single resonance coupled-mode approach to light scattering by dielectric solids of revolution. By using a biorthogonal decomposition of the S matrix found with the extended boundary condition method we derived all parameters required for application of the temporal coupled-mode theory in a closed form. The proposed approach allows for constructing a frequency-dependent Fano response due to a single resonance after the full-wave solution has been found at a single incident frequency.

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Держатели документа:
Institute of Computational Modeling SB RAS, Krasnoyarsk 660036, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
IRC SQC, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Maksimov, D. N.; Максимов, Дмитрий Николаевич; Ershov, A. E.; Булгаков, Евгений Николаевич
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Size-selective optical trapping of nanoparticles with bound states in the continuum / A. S. Kostyukov, V. S. Gerasimov, A. E. Ershov [et al.] // Opt. Lasers Eng. - 2023. - Vol. 171. - Ст. 107797, DOI 10.1016/j.optlaseng.2023.107797. - Cited References: 46. - The work was supported by Russian Science Foundation Grant No. 22-12-00070 . - ISSN 0143-8166. - ISSN 1873-0302
Кл.слова (ненормированные):
Nanoparticles -- Bound states in the continuum -- Optical tweezers -- Optical trapping
Аннотация: We consider a waveguide with a symmetrically integrated silicon cylinder. This design supports a symmetry protected bound state in the continuum (BIC) with Q-factor controlled by slight displacement of the cylinder. When excited by a TE10 electromagnetic wave, the BIC leads to giant optical forces near the cylinder. These forces have a strong impact on nanoparticles being dragged by liquid flow over the waveguide as they approach the cylinder. At the same time, the nanoparticles perturb the resonant frequency of the BIC with a value proportional to their volume and proximity to the cylinder. Therefore, the interplay between the resonant width of the BIC and the nanoparticle frequency perturbation determines the positions of the nanoparticles trapped around the cylinder. This paradigm demonstrates resonant self-trapping and sorting of nanoparticles by size through BIC excitation. We highlight the extreme sensitivity of these effects to the frequency of the injected TE wave. Additionally, we show that these results remain valid when considering the finite conductivity of metal waveguides.

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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Computational Modelling, SB RAS, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Kostyukov, A. S.; Gerasimov, V. S.; Ershov, A. E.; Bulgakov, E. N.; Булгаков, Евгений Николаевич; Sadreev, A. F.; Садреев, Алмаз Фаттахович
}
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Гос. рег. прогр. для ЭВМ 2023681182 Российская Федерация

Программа расчёта трансмиссионных свойств плазмонного нановолновода / А. Е. Ершов, B. C. Герасимов, Н. Ю. Игнатова, С. В. Карпов. - № 2023681182 ; Заявл. 02.10.2022 ; Опубл. 11.10.2022 // Программы для ЭВМ. Базы данных. Топологии интегральных микросхем : офиц. бюл. Фед. службы по интеллектуал. собственности (Роспатент). - 2023. - № 10
Аннотация: Программа представляет собой клиентскую часть для расчёта на основе обобщённой теории трансмиссионных свойств плазмонного нановолновода. Взаимодействие с программой реализовано через интерфейс командной строки. В результате работы программа создаёт файл формата HDF5 с результатами расчетов. Работа выполнена при финансовой поддержке Министерства науки и высшего образования Российской федерации, проект FSRZ-2023-0006. Тип ЭВМ: IBM PC-совместимые. ОС: UNIX-совместимые.

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Держатели документа:
Сибирский федеральный университет

Доп.точки доступа:
Ершов, Александр Евгеньевич; Ershov, A. E.; Герасимов, Валерий Сергеевич; Gerasimov V. S.; Игнатова, Н. Ю.; Карпов, Сергей Васильевич; Karpov, S. V.; Сибирский федеральный университет; Федеральная служба по интеллектуальной собственности (Роспатент); Федеральный институт промышленной собственности
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Гос. рег. прогр. для ЭВМ 2023681317 Российская Федерация

Программа визуализации расчётов трансмиссионных свойств плазмонного нановолновода / А. Е. Ершов, B. C. Герасимов, Н. Ю. Игнатова, С. В. Карпов. - № 2023680211 ; Заявл. 03.10.2022 ; Опубл. 12.10.2022 // Программы для ЭВМ. Базы данных. Топологии интегральных микросхем : офиц. бюл. Фед. службы по интеллектуал. собственности (Роспатент). - 2023. - № 10
Аннотация: Программа представляет собой средство для визуализации данных, полученных при помощи Программы расчёта трансмиссионных свойств плазмонного нановолновода. Ввод данных реализован через интерфейс командной строки. На вход программа получает файл формата HDF5 . В результате работы программа визуализирует данные при помощи графического интерфейса библиотеки MATPLOTLIB. Работа выполнена при финансовой поддержке Министерства науки и высшего образования Российской федерации, проект FSRZ-2023-0006. Тип ЭВМ: IBM PC-совмест. ПК. ОС: UNIX-совместимые.

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Сибирский федеральный университет

Доп.точки доступа:
Ершов, Александр Евгеньевич; Ershov, A. E.; Герасимов, Валерий Сергеевич; Gerasimov V. S.; Игнатова, Н. Ю.; Карпов, Сергей Васильевич; Karpov, S. V.; Сибирский федеральный университет; Федеральная служба по интеллектуальной собственности (Роспатент); Федеральный институт промышленной собственности
}
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Ring of bound states in the continuum in the reciprocal space of a monolayer of high-contrast dielectric spheres / A. S. Kostyukov, V. S. Gerasimov, A. E. Ershov, E. N. Bulgakov // Phys. Rev. B. - 2022. - Vol. 105, Is. 7. - Ст. 075404, DOI 10.1103/PhysRevB.105.075404. - Cited References: 43. - This research was supported by RFBR, Krasnoyarsk Territory, and Krasnoyarsk Regional Fund of Science, Project No. 20-42-240003, by the Ministry of Science and Higher Education of the Russian Federation, Project No. FSRZ-20200008 . - ISSN 2469-9950. - ISSN 2469-9969

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter
Рубрики:
PHOTONIC BAND-STRUCTURE
FANO RESONANCES
SCATTERING
Аннотация: We consider light scattering by two-dimensional arrays of high-index dielectric spheres arranged into a triangular and square lattices. We demonstrate the appearance of the double degenerate accidental super-BIC modes with extremely suppressed radiative losses in the vicinity of the Γ point of the leaky band of the triangular lattice. Two rings of BICs (circular lines of BICs in reciprocal space) with different polarization appear at the point of the super-BIC destruction. The radius of the ring BIC (RBIC) changes as a function of the sphere's radius. We propose a generic analytical expression to describe the behavior of the guided mode decay rate as a function of the sphere radii and the wave vector in the vicinity of the RBIC. The results are explained using a multipolar approach.

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Держатели документа:
Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
Inst Computat Modelling SB RAS, Krasnoyarsk 660036, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Kostyukov, A. S.; Gerasimov, V. S.; Ershov, A. E.; Bulgakov, E. N.; Булгаков, Евгений Николаевич; RFBR Russian Foundation for Basic Research (RFBR); Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [20-42-240003]; Ministry of Science and Higher Education of the Russian Federation [FSRZ-20200008]
}
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    Part I. Nanobubbles in pulsed laser fields for anticancer therapy: in search of adequate models and simulation approaches / A. S. Kostyukov, I. L. Isaev, A. E. Ershov [et al.] // J. Phys. D. - 2022. - Vol. 55, Is. 17. - Ст. 175401, DOI 10.1088/1361-6463/ac4c20. - Cited References: 99. - The research was supported by the Ministry of Science and High Education of Russian Federation (Project No. FSRZ-2020-0008), and was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, Project Number 20-42-240003 . - ISSN 0022-3727. - ISSN 1361-6463
   Перевод заглавия: Часть I. Нанопузырьки в импульсных лазерных полях для противораковой терапии: в поисках адекватных моделей и вычислительных подходов

РУБ Physics, Applied
Рубрики:
INDUCED CELL-LYSIS
GOLD NANOPARTICLES
SELECTIVE NANOPHOTOTHERMOLYSIS
Кл.слова (ненормированные):
photothermal effect -- plasmonic nanoparticle -- malignant cell membrane -- pulsed laser radiation -- finite element analysis -- anticancer therapy
Аннотация: We numerically investigate the conditions for the laser-induced formation of nanobubbles in aqueous medium around plasmonic nanoparticles (NPs) bound to the malignant cell membranes that is considered as the method of their irreversible damage. We proposed employing the versatile and accessible simulation software as a research tool based on the finite volume method underlying the ANSYS Fluent package and supplemented with our user-defined functions that adapt it to solution of the stated problems. This adaptation allows to verify the model using experimental data for the same conditions. We determined the conditions for the pressure growth on the cell membrane at the initial moment of bubble formation significantly exceeding the threshold of irreversible damage. The model can be used for investigation of hydrodynamic effects accompanying irradiation of plasmonic NPs using both different types of pulsed lasers and ideally absorbing NPs with resonance in the hemoglobin spectral transparency range, as well as to uncover previously unknown effects. They include the conditions for localization of a damaging factor non-affecting the normal cells, the conditions for generation of ultrahigh pressure pulse that enables to damage the cell membrane and precedes formation of thin vapor shell around NPs, which, unlike large bubbles, requires registration using highly sensitive experimental measurements. An extensive overview of key publications summarizing the state-of-art in this area is presented.

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Держатели документа:
Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Inst Computat Modelling, Krasnoyarsk 660036, Russia.
Fed Med Biol Agcy Russian Federat, Fed Siberian Res Clin Ctr, Krasnoyarsk 660037, Russia.
Russian Acad Sci, Siberian Branch, Fed Res Ctr KSC, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Kostyukov, A. S.; Isaev, I. L.; Ershov, A. E.; Gerasimov, V. S.; Polyutov, S. P.; Karpov, S. V.; Карпов, Сергей Васильевич; Ministry of Science and High Education of Russian Federation [FSRZ-2020-0008]; RFBRRussian Foundation for Basic Research (RFBR); Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science [20-42-240003]
}
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    Part II. Nanobubbles around plasmonic nanoparticles in terms of modern simulation modeling: what makes them kill the malignant cells? / A. S. Kostyukov, I. L. Isaev, A. E. Ershov [et al.] // J. Phys. D. - 2022. - Vol. 55, Is. 17. - Ст. 175402, DOI 10.1088/1361-6463/ac4c1f. - Cited References: 49. - The research was supported by the Ministry of Science and High Education of Russian Federation (Project No. FSRZ-2020-0008), and was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, Project No. 20-42-240003 . - ISSN 0022-3727. - ISSN 1361-6463
   Перевод заглавия: Часть II. Нанопузырьки вокруг плазмонных наночастиц с точки зрения современного имитационного моделирования: что заставляет их убивать злокачественные клетки?

РУБ Physics, Applied
Рубрики:
STRESS WAVES
   LASER
   MEMBRANE
   DAMAGE
   DEATH
   LYSIS
Кл.слова (ненормированные):
photothermal effect -- plasmonic nanoparticle -- malignant cell membrane -- pulsed laser radiation -- finite elements analysis -- anticancer therapy -- aptamer
Аннотация: We have established numerically the physical pattern and conditions for formation of nanosized bubbles in aqueous medium around biocompatible plasmonic nanoparticles (NPs) selectively bound to the membrane of the malignant cells by means of DNA-aptamers under the action of picosecond laser radiation. The results obtained are based on the finite volume method and hydrodynamic models underlying the ANSYS Fluent package with extended capabilities. We have found the main features and previously unknown dominant factors of the damage effect on the cell membrane at the moment of the bubble nucleation around the plasmonic NPs of different types taking into account the influence of the closely located membrane. Information on the kinetics of spatial distribution of pressure, temperature and the relative proportion of vapor in the 'nanoparticle-membrane-medium' system have been obtained. The attention is drawn to the advantages of using biocompatible, perfectly absorbing core–shell plasmonic NPs for anti-tumor therapy characterized by an increased mechanical effect on malignant cell membranes at lower laser radiation intensity and the spectral position of their plasmon resonance (λ = 700 nm) in the hemoglobin transparency range. This ensures penetration of laser radiation deep into tissues. The paper is provided with an extensive review of key publications and the state-of-art in this area.

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Держатели документа:
Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Inst Computat Modelling, Siberian Branch, Krasnoyarsk 660036, Russia.
Fed Med Biol Agcy Russian Federat, Fed Siberian Res Clin Ctr, Krasnoyarsk 660037, Russia.
Russian Acad Sci, LV Kirensky Inst Phys, Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Kostyukov, A. S.; Isaev, I. L.; Ershov, A. E.; Gerasimov, V. S.; Polyutov, S. P.; Karpov, S. V.; Карпов, Сергей Васильевич; Ministry of Science and High Education of Russian Federation [FSRZ-2020-0008]; RFBRRussian Foundation for Basic Research (RFBR); Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science [20-42-240003]
}
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    Medium dependent optical response in ultra-fine plasmonic nanoparticles / L. K. Sorensen, D. E. Khrennikov, V. S. Gerasimov [et al.] // Phys. Chem. Chem. Phys. - 2022. - Vol. 24, Is. 39. - P. 24062-24075, DOI 10.1039/d2cp02929d. - Cited References: 52. - DEK, VSG, SVK acknowledge the support of the Russian Science Foundation (project no. 18-13-00363). L. K. S. acknowledges the support of Carl Tryggers Stiftelse, project CTS 18-441. We also acknowledge the Swedish National Infrastructure for Computing (SNIC) at the High Performance Computing Center North (HPC2N) partially funded by the Swedish Research Council through grant agreement no. 2021/3-22 . - ISSN 1463-9084
   Перевод заглавия: Зависимость оптического отклика сверхмалых плазмонных наночастиц от окружающей среды
Аннотация: We study the influence of media on the interaction of ultra-fine plasmonic nanoparticles (≤ 8 nm) with radiation. The important role of the surface layer of the nanoparticles, with properties that differ from the ones in the inner part, is established. Using an atomistic representation of the nanoparticle material and its interaction with light, we find a highly inhomogeneous distribution of the electric field inside and around the particles. It is predicted that with an increase in the refractive index of the ambient medium, the extension of the surface layer of atoms increases, something that also is accompanied by an enhanced red shift of the plasmon resonance band compared to large particles in which the influence of this layer and its relative volume is reduced. It is shown that the physical origin for the formation of a surface layer of atoms near the nanoparticle boundary is related to the anisotropy of the local environment of atoms in this layer which changes the conditions for the interaction of neighboring atoms with each other and with the incident radiation. It is shown that a growth of the refractive index of the ambient medium results in an increase in the local field in the dielectric cavity in which a plasmonic nanoparticle is embedded and which is accompanied by a growth of the amplitude of the plasmon resonance. We predict that in the ultra-fine regime the refractive index sensitivity shows a decreasing trend with respect to size which is opposite to that for larger particles. With the applied atomistic model this work demonstrates close relations between field distributions and properties of ultra-fine nanoparticles.

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Держатели документа:
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden. lasse.kragh.soerensen@gmail.com
Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, Royal Institute of Technology, Stockholm, SE-10691, Sweden
University Library, University of Southern Denmark, DK-5230 Odense M, Denmark
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Computational Modelling, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Federal Siberian Research Clinical Centre under FMBA of Russia, 660037, Kolomenskaya, 26 Krasnoyarsk, Russia
L. V. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Sorensen, L. K.; Khrennikov, D. E.; Gerasimov, V. S.; Ershov, A. E.; Polyutov, S. P.; Karpov, S. V.; Карпов, Сергей Васильевич; Agren, H.
}
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10.

Thermo-optic hysteresis with bound states in the continuum / D. N. Maksimov, A. S. Kostyukov, A. E. Ershov [et al.] // Phys. Rev. A. - 2022. - Vol. 106, Is. 6. - Ст. 063507, DOI 10.1103/PhysRevA.106.063507. - Cited References: 52. - This work received financial support through the Russian Science Foundation and Krasnoyarsk Regional Fund of Science under Grant No. 22-22-20056 [52]. The authors acknowledge discussions with A. A. Bogdanov . - ISSN 2469-9926. - ISSN 2469-9934
Аннотация: We consider thermo-optic hysteresis in a silicon structure supporting bound states in the continuum. Taking into account radiative heat transfer as a major cooling mechanism we constructed a nonlinear model describing the optical response. It is shown that the thermo-optic hysteresis can be obtained with low intensities of incident light I0 ≈ 1 W/m2 at the red edge of the visible under the critical coupling condition.

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Держатели документа:
IRC SQC, Siberian Federal University, 660041 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Computational Modelling SB RAS, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Maksimov, D. N.; Максимов, Дмитрий Николаевич; Kostyukov, A. S.; Ershov, A. E.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bulgakov, E. N.; Булгаков, Евгений Николаевич; Gerasimov, V. S.
}
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