 | | 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: | | 12854 |
| In Russian (Èçâ. ÐÀÍ. ÌÒÒ): | | 8044
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| In English (Mech. Solids): | | 4810 |
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| Charrouf H., Almi K., Lakel A., Okbi F., and Lakel S., "Elastic and Mechanical Properties of Y1−xScxN Alloying System as a Function of Sc Content: First Principles Study," Mech. Solids. 56 (6), 1028-1038 (2021) |
| Year |
2021 |
Volume |
56 |
Number |
6 |
Pages |
1028-1038 |
| DOI |
10.3103/S0025654421060042 |
| Title |
Elastic and Mechanical Properties of Y1−xScxN Alloying System as a Function of Sc Content: First Principles Study |
| Author(s) |
Charrouf H. (Laboratory of Metallic and Semiconducting Materials, University of Biskra, Biskra 7000, Algeria)
Almi K. (Laboratory of Metallic and Semiconducting Materials, University of Biskra, Biskra 7000, Algeria; Material Sciences Department, Faculty of Science, University of Biskra, Biskra 7000, Algeria, almi.kenza@yahoo.fr)
Lakel A. (Laboratory of Metallic and Semiconducting Materials, University of Biskra, Biskra 7000, Algeria)
Okbi F. (Laboratory of Metallic and Semiconducting Materials, University of Biskra, Biskra 7000, Algeria)
Lakel S. (Laboratory of Metallic and Semiconducting Materials, University of Biskra, Biskra 7000, Algeria; Material Sciences Department, Faculty of Science, University of Biskra, Biskra 7000, Algeria, said.lakel@yahoo.fr) |
| Abstract |
First-principles calculations were performed to study the effects of alloying Sc on the structural, mechanical properties and the elastic anisotropy of of Y1−xScxN alloys. Our calculated lattice constants and bulk modulus for YN and ScN are in good agreement with the available theoretical and experimental data. The lattice constants decrease while the bulk modulus increases with Sc concentration increasing. We performed a comparative study of the elastic properties of these alloys. Based on the elastic constants Cij, the polycrystalline elastic properties including bulk modulus, shear modulus, Young's modulus and Poisson’s ratio, are obtained by Voigt-Reuss-Hill approximation. In addition B/G, longitudinal and shear wave velocities (vs, mathrmvl) and Debye temperature θD are determined for these compounds for the first time. The directional Young’s, shear moduli and Poisson's ratio for single-crystal Y1−xScxN alloys with alloying Sc were obtineted. The Young's modulus increases with increasing Sc concentrations in all directions. Therefore, this work can be used as a future reference for theoretical and experimental studies based on Y1−xScxN (x=0.25, 0.5 and 0.75) alloys. |
| Keywords |
Y1−xScxN alloys, DFT First principles calculations, elastic properties, elastic anisotropy |
| Received |
08 March 2021 | Revised |
21 April 2021 | Accepted |
23 April 2021 |
| Link to Fulltext |
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