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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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Banerjee, S.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2023A detailed mechanism of degradation behaviour of biodegradable as-ECAPed Zn-0.8Mg-0.2Sr with emphasis on localized corrosion attackcitations
- 2021Preparation and Characterization of Nb-1Zr-0.1C Alloy Suitable for Liquid Metal Coolant Channels of High Temperature Reactorscitations
- 2021Effect of spacing and seedling age on yield, quality and heat use of scented rice in lower gangetic plains of West Bengal
- 2020Optimization of tribological behavior of Mg-WC nanocomposites at elevated temperaturecitations
- 2018Nonlocal damage mechanics for quantification of health for piezoelectric sensorcitations
- 2018Giant Electron-Phonon Coupling and Deep Conduction Band Resonance in Metal Halide Double Perovskitecitations
- 2016Determining the mechanical properties of electrospun poly-ε-caprolactone (PCL) nanofibers using AFM and a novel fiber anchoring technique
- 2014Investigation of short-range structural order in Zr69.5Cu12Ni11Al7.5 and Zr41.5Ti41.5Ni17 glasses, using X-ray absorption spectroscopy and ab initio molecular dynamics simulationscitations
- 2014Electromagnetic interference shielding effectiveness of MWCNT filled poly(ether sulfone) and poly(ether imide) nanocompositescitations
- 2011Study of surface magnetism, exchange bias effect, and enhanced ferromagnetism in α-Fe1.4Ti0.6O3 alloycitations
- 2001Modelling of site occupancies in ternary B2 compounds in Nb-Ti-Al
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article
Modelling of site occupancies in ternary B2 compounds in Nb-Ti-Al
Abstract
In this paper a model is presented for calculating the site occupancies in ternary B2 compounds. The model is based on a simple approach involving chemical rate theory for representing equilibrium in ordered compounds. Competing exchange reactions between different combinations of the three elements located on two different sublattices in a ternary B2 compound determine the equilibrium ordering scheme. The enthalpy change involved in these reactions is represented within the framework of the Bragg-Williams mean-field approximation using binary interaction parameters. The site occupancies are represented in a simple manner using the ordering tie line (OTL) construction. This model has been used to compute the site occupancies in ternary B2 compounds in Nb-Ti-Al alloys using values of binary interaction parameters available in the literature. The results are in reasonable agreement with experimentally determined OTLs for these alloys. The values of the binary interaction parameters have been identified as significant contributors in determining the accuracy of predictions afforded by the model and have therefore been optimized in order to obtain better agreement between the calculated and experimentally determined OTLs. The order-disorder transformation temperature, predicted using the model, is in excellent agreement with the experimental results for the Nb-40at.%Ti-15at.%Al alloy. Finally, the model also predicts secondary ordering effects in those Nb-Ti-Al alloys which have an average composition close to the Heusler composition A(2)BC, in agreement with results of electronic structure calculations available in the literature.