 | | Mechanics of Solids
A Journal of Russian Academy of Sciences | | Founded
in January 1966
Issued 6 times a year
Print ISSN 0025-6544
Online ISSN 1934-7936 |
Archive of Issues
| Total articles in the database: | | 13025 |
| In Russian (Èçâ. ÐÀÍ. ÌÒÒ): | | 8110
|
| In English (Mech. Solids): | | 4915 |
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| E.Kh. Khamzin, S.A. Nefedov, L.V. Kurganskaya, and A.V. Shcherbak, "Molecular Dynamics Modeling of Uniaxial Compression and Stretching of Silicon Carbide Polytypes: Strength and Structural Parameters Investigation," Mech. Solids. 59 (7), 3844-3858 (2024) |
| Year |
2024 |
Volume |
59 |
Number |
7 |
Pages |
3844-3858 |
| DOI |
10.1134/S0025654424602970 |
| Title |
Molecular Dynamics Modeling of Uniaxial Compression and Stretching of Silicon Carbide Polytypes: Strength and Structural Parameters Investigation |
| Author(s) |
E.Kh. Khamzin (Samara NationalResearch University Named After Academician S.P. Korolev, Samara, 443086 Russia, elkhan.k.khamzin@gmail.com)
S.A. Nefedov (Samara National Research University Named After Academician S.P. Korolev, Samara, 443086 Russia, nef2705@yandex.ru)
L.V. Kurganskaya (Samara NationalResearch University Named After Academician S.P. Korolev, Samara, 443086 Russia)
A.V. Shcherbak (Samara NationalResearch University Named After Academician S.P. Korolev, Samara, 443086 Russia) |
| Abstract |
This paper provides a brief review of silicon carbide’s prospective use in one of the most
important areas of semiconductor electronics and materials science. The nature of silicon carbide
polymorphic features – crystal lattice topology and atomic layer stacking are touched upon. A wide
application of mechanical and structural properties of the most frequently quoted polytypes is considered in current research. The mathematical apparatus in the form of basic potentials describing the
atomic-molecular bonding of crystals is given. The crystal lattice dynamics of 3C, 2H, 4H, 6H, 15R, 6O polytypes were calculated. The considered defect-free single crystal polytypes at the temperature
range from –100°C to 1200°C under constant uniaxial compression and tensile strain in different crystallographic orientations were investigated by the method of classical molecular dynamics. The data of
comparative curves: stress-compression/stretching, temperature law of Young’s modulus, and X-ray
diffraction before and at the moment of crystal fracture, as well as piezoelectric constants were
obtained. The analytical work carried out on the basis of the obtained data predisposes to the identification of the most promising silicon carbide phases for the semiconductor industry. This also explains
the difference in the mechanical properties between polytypes. The theoretical study is in prospective
both for experimenters, engineers and technologists, as well as come in handy for theorists developing
computerized methods for the study of semiconductor materials. |
| Keywords |
silicon carbide, uniaxial compression and tension, temperature deformation, molecular dynamics, X-ray diffraction, Piezoceramics, adiabatic approximation, Born-Karman boundary conditions |
| Received |
29 September 2024 | Revised |
29 September 2024 | Accepted |
30 September 2024 |
| Link to Fulltext |
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