| People | Locations | Statistics |
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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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Bliem, Roland
University of Amsterdam
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (14/14 displayed)
- 2024Bridging the gap between high-entropy alloys and metallic glasses:Control over disorder and mechanical properties of coatings
- 2023Femtosecond Laser-Induced Emission of Coherent Terahertz Pulses from Ruthenium Thin Filmscitations
- 2023Identifying silicides via plasmon loss satellites in photoemission of the Ru-Si systemcitations
- 2023Why Teflon is so slippery while other polymers are notcitations
- 2022Electronic and structural properties of crystalline and amorphous (TaNbHfTiZr)C from first principlescitations
- 2022Electronic and structural properties of crystalline and amorphous (TaNbHfTiZr)C from first principlescitations
- 2022Ultrathin, sputter-deposited, amorphous alloy films of ruthenium and molybdenumcitations
- 2022Ultrathin, sputter-deposited, amorphous alloy films of ruthenium and molybdenumcitations
- 2021The influence of corrosion on diamond-like carbon topography and friction at the nanoscalecitations
- 2021Hf deposition stabilizes the surface chemistry of perovskite manganite oxidecitations
- 2021Tuning point defects by elastic strain modulates nanoparticle exsolution on perovskite oxidescitations
- 2020Thermally driven interfacial degradation between Li7La3Zr2O12 electrolyte and LiNi0.6Mn0.2Co0.2O2 cathodecitations
- 2020Shape-Preserving Chemical Conversion of Architected Nanocompositescitations
- 2015Adsorption and incorporation of transition metals at the magnetite Fe3O4(001) surfacecitations
Places of action
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article
Electronic and structural properties of crystalline and amorphous (TaNbHfTiZr)C from first principles
Abstract
<jats:title>Abstract</jats:title><jats:p>High entropy materials (HEMs) are of great interest for their mechanical, chemical and electronic properties. In this paper we analyse (TaNbHfTiZr)C, a carbide type of HEM, both in crystalline and amorphous phases, using density functional theory (DFT). We find that the relaxed lattice volume of the amorphous phase is larger, while its bulk modulus is lower, than that of its crystalline counterpart. Both phases are metallic with all the transition metals contributing similarly to the density of states close to the Fermi level, with Ti and Nb giving the proportionally largest contribution of states. We confirm that despite its great structural complexity, <jats:inline-formula><jats:tex-math><?CDATA $222$?></jats:tex-math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>2</mml:mn></mml:math><jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="cmac877dieqn1.gif" xlink:type="simple" /></jats:inline-formula> supercells are large enough for reliable simulation of the presented mechanical and electronic properties by DFT.</jats:p>