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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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Scheiber, Daniel
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Topics
Publications (5/5 displayed)
- 2023Interstitial Segregation has the Potential to Mitigate Liquid Metal Embrittlement in Ironcitations
- 2023Probing the composition dependence of residual stress distribution in tungsten-titanium nanocrystalline thin filmscitations
- 2021Grain boundary segregation in Ni-base alloys: A combined atom probe tomography and first principles studycitations
- 2018New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculationscitations
- 2016Modelling and Simulation in Materials Science and Engineering / Ab initio calculations of grain boundaries in bcc metalscitations
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article
New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations
Abstract
<jats:p>We use ab initio calculations to analyze the influence of 4d and 5d transition metal alloying elements on cohesive properties of the bulk and a representative grain boundary in Cr within the framework of the Rice–Thomson–Wang approach. The results obtained for Cr are combined with the analogous results for Ni to select Ta and Nb as promising alloying additions to dual-phase (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="M1"><mml:mi>α</mml:mi><mml:mo>/</mml:mo><mml:mi>γ</mml:mi></mml:math>) Cr-Ni-base high-temperature alloys. Ta and Nb are added to the alloying system of an existing alloy I (Cr-Ni-W-V-Ti) in an attempt to design a chemical composition of a new alloy II (Cr-Ni-W-V-Ti) + (Ta-Nb). Investigation of the microstructure of the Ta-bearing Cr-Ni-alloy reveals a Ta enrichment of large <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="M2"><mml:mrow><mml:mi>γ</mml:mi></mml:mrow></mml:math>-areas near GBs in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="M3"><mml:mrow><mml:mi>α</mml:mi></mml:mrow></mml:math>-matrix that we consider as potency to increase the cohesive strength of GBs and the cohesive energy of the bulk in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="M4"><mml:mrow><mml:mi>γ</mml:mi></mml:mrow></mml:math>-phase. Mechanical testing of alloys I and II demonstrates that the alloy II has improved tensile strength and creep resistance at high temperatures.</jats:p>