Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method
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| Автор |
Galashev, A.
Abramova, K. |
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| Тематика |
ELECTRODEPOSITION
MOLECULAR DYNAMIC MOLTEN SALT SILICON CARBIDE STRUCTURE THIN FILM CRYSTALLINITY ELECTRODEPOSITION ELECTRODES FILM GROWTH FLUORINE COMPOUNDS GROWTH RATE HYDROGEN METAL SUBSTRATES SILICON CARBIDE THERMAL CONDUCTIVITY THERMAL EXPANSION THIN FILMS WEAR RESISTANCE DYNAMICS SIMULATION ELECTROLYTICS FILM FORMATIONS GRAPHITE SUBSTRATE METAL SUBSTRATE MOLTEN SALT SEMICONDUCTOR TECHNOLOGY SIC FILMS SILICON CARBIDE FILMS THIN-FILMS MOLECULAR DYNAMICS |
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| Описание |
Silicon carbide is successfully implemented in semiconductor technology; it is also used in systems operating under aggressive environmental conditions, including high temperatures and radiation exposure. In the present work, molecular dynamics modeling of the electrolytic deposition of silicon carbide films on copper, nickel, and graphite substrates in a fluoride melt is carried out. Various mechanisms of SiC film growth on graphite and metal substrates were observed. Two types of potentials (Tersoff and Morse) are used to describe the interaction between the film and the graphite substrate. In the case of the Morse potential, a 1.5 times higher adhesion energy of the SiC film to graphite and a higher crystallinity of the film was observed than is the case of the Tersoff potential. The growth rate of clusters on metal substrates has been determined. The detailed structure of the films was studied by the method of statistical geometry based on the construction of Voronoi polyhedra. The film growth based on the use of the Morse potential is compared with a heteroepitaxial electrodeposition model. The results of this work are important for the development of a technology for obtaining thin films of silicon carbide with stable chemical properties, high thermal conductivity, low thermal expansion coefficient, and good wear resistance. © 2023 by the authors.
122020100205-5, FUME-2022-0005; Government Council on Grants, Russian Federation: 075-03-2022-011, FEUZ-2020-0037 This work is partly supported by Government of Russian Federation [the State Assignment No. 075-03-2022-011 of 14/01/2022 (FEUZ-2020-0037)], and is partly executed in the frame of the scientific theme of Institute of high-temperature electrochemistry UB RAS, number FUME-2022-0005, registration number 122020100205-5. |
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| Дата |
2024-04-05T16:20:54Z
2024-04-05T16:20:54Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/publishedVersion |
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| Идентификатор |
Galashev, A & Abramova, K 2023, 'Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method', Materials, Том. 16, № 8, 3115. https://doi.org/10.3390/ma16083115
Galashev, A., & Abramova, K. (2023). Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method. Materials, 16(8), [3115]. https://doi.org/10.3390/ma16083115 1996-1944 Final All Open Access, Gold, Green https://www.scopus.com/inward/record.uri?eid=2-s2.0-85156105161&doi=10.3390%2fma16083115&partnerID=40&md5=c1aeff0ff15e5fd044bcfa74ffdefe48 https://www.mdpi.com/1996-1944/16/8/3115/pdf?version=1681544183 http://elar.urfu.ru/handle/10995/130445 10.3390/ma16083115 85156105161 000978681700001 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by https://creativecommons.org/licenses/by/4.0/ |
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| Формат |
application/pdf
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| Издатель |
MDPI
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| Источник |
Materials
Materials |
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