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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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Niranjan, Manish K.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2019Surface electronic structure, relaxations and thermodynamic energies of (100), (110) and (111) surfaces of Mg2Si: A first-principles theoretical study
- 2019Ferroelectric superlattices at nano scale: A Theoretical Investigation
- 2018Optimum discharge energy density at room temperature in relaxor K 1/2 Bi 1/2 TiO 3 for green energy harvesting
- 2017Phase stability and elastic properties of β Ti-Nb-X (X=Zr, Sn) alloys: An ab-initio density functional studycitations
- 2016Synthesis And Characterization of ferroelectric material (Na0.5Bi0.5)TiO3- Eu2O3
- 2015Microstructural studies of AgNbO3 ceramic by using complex impedance spectroscopy
- 2015Theoretical Investigation of Crystal and Electronic Structure of piezoelectric AgNb0.5Ta0.5O3
- 2012First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi
- 2011Metallic and Insulating Oxide Interfaces Controlled by Electronic Correlations
- 2010Suppression of Octahedral Tilts and Associated Changes in Electronic Properties at Epitaxial Oxide Heterostructure Interfaces
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article
Phase stability and elastic properties of β Ti-Nb-X (X=Zr, Sn) alloys: An ab-initio density functional study
Abstract
Alloying effects of Sn and Zr on β phase stability and elastic properties in Ti-Nb alloys are investigated within the framework of first-principles density functional theory. Our results suggest that the stability of β phase can be significantly enhanced by the addition of Sn and Zr in Ti-Nb alloys. The computed results indicate that Sn and Zr behave as strong β stabilizers in the Ti-Nb system. The elastic properties are found to be altered considerably by the addition of ternary alloying elements (Sn and Zr). The computed elastic moduli of Ti18.75at.%Nb6.25at.%Zr and Ti25at.%NbxZr compositions are found to be lower than that for Ti18.75at.%Nb6.25at.%Sn and Ti25at.%NbxSn system. The lowest value of ~54 GPa is obtained for Ti25at.%Nb6.25at.%Zr composition. Furthermore, the directional Young's modulus is found to be in the order of E 100 < E 110 < E 111 for all the compositions of Ti-Nb-Zr and Ti-Nb-Sn system.