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Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method

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Заглавие Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic Method
 
Автор Galashev, A.
Abramova, K.
 
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
 
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.
 
Дата 2024-04-05T16:20:54Z
2024-04-05T16:20:54Z
2023
 
Тип Article
Journal article (info:eu-repo/semantics/article)
|info:eu-repo/semantics/publishedVersion
 
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
 
Язык en
 
Права Open access (info:eu-repo/semantics/openAccess)
cc-by
https://creativecommons.org/licenses/by/4.0/
 
Формат application/pdf
 
Издатель MDPI
 
Источник Materials
Materials