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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Hadi, M. A.
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Topics
Publications (6/6 displayed)
- 2021Structural, electronic, mechanical, thermal, and optical properties of UIr3 under pressurecitations
- 2021Structural, elastic and electronic properties of nitride Ti2CdN phase in comparison with the carbide Ti2CdC phase from first-principles studycitations
- 2020Elastic behaviour and radiation tolerance in Nb-based 211 MAX phasescitations
- 2018Physical properties and defect processes of M3SnC2 (M = Ti, Zr, Hf) MAX phasescitations
- 2017Mechanical behavior, bonding nature and defect processes of Mo2ScAlC2citations
- 2013New MAX Phase Superconductor Ti2GeC: A First-principles Studycitations
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article
Elastic behaviour and radiation tolerance in Nb-based 211 MAX phases
Abstract
<p>MAX phase carbides are a set of materials that have attracted the research and industrial interest due to their unique combination of metallic and ceramic properties. In recent experimental studies it was determined that Nb-based MAX phases have good mechanical and thermal properties. In the present systematic density functional theory study we examine the elastic behaviour and radiation tolerance of a range of Nb<sub>2</sub>AC (A = Al, Ga, Ge, In, Sn, As, P, and S) MAX phases. It is found that the Nb-based 211 MAX phases studied here are mechanically stable and elastically anisotropic. Elastically, Nb<sub>2</sub>GeC possesses the highest level of anisotropy and Nb<sub>2</sub>InC, the lowest. The cross-slip pinning process is enhanced in Nb<sub>2</sub>GeC that is considerably reduced in Nb<sub>2</sub>InC. Nb<sub>2</sub>GeC, Nb<sub>2</sub>SnC, and Nb<sub>2</sub>SC are ductile, whereas the other Nb-based MAX phases considered here are brittle in nature. In particular, Nb<sub>2</sub>GeC is highly ductile and Nb<sub>2</sub>AlC is more brittle. Nb<sub>2</sub>PC and Nb<sub>2</sub>SnC are respectively, more stiff and flexible under tension or compression. Nb<sub>2</sub>SnC has the best thermal shock resistance among the Nb-based MAX phase carbides studied here. Regarding the radiation tolerance of these MAX phases it is anticipated that Nb<sub>2</sub>SnC will be the most resistant to radiation.</p>