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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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Ecker, Werner
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (21/21 displayed)
- 2024Numerical and experimental assessment of liquid metal embrittlement in externally loaded spot welds
- 2023Interstitial Segregation has the Potential to Mitigate Liquid Metal Embrittlement in Ironcitations
- 2023Mechanical load induced hydrogen charging of retained austenite in quenching and partitioning (Q&P) steelcitations
- 2022Hydrogen trapping at retained austenite evaluated in Quenching & Partitioning (Q&P) steel : part I: experimental results
- 2022The interaction of hydrogen with retained austenite in quenching and partitioning (Q&P) and transformation induced plasticity (TRIP) steel
- 2022Hydrogen trapping at retained austenite evaluated in Quenched & Partitioning (Q&P) steel : part II : simulation results
- 2022The role of retained austenite in the hydrogen embrittlement of quenching and partitioning (Q&P) steels
- 2021Grain boundary segregation in Ni-base alloys: A combined atom probe tomography and first principles studycitations
- 2021The effect of hydrogen on the strain induced phase transformation of austenite in automotive quenching and partitioning steel
- 2021Validated multi-physical finite element modelling of the spot welding process of the advanced high strength steel dp1200hdcitations
- 2021Correlative cross-sectional characterization of nitrided, carburized and shot-peened steelscitations
- 2021Liquid Metal Embrittlement of Advanced High Strength Steelcitations
- 2021An atomistic view on Oxygen, antisites and vacancies in the γ-TiAl phasecitations
- 2020Cycled hydrogen permeation through Armco iron – A joint experimental and modeling approachcitations
- 2020Stress relaxation through thermal crack formation in CVD TiCN coatings grown on WC-Co with different Co contentscitations
- 2020Nanoscale stress distributions and microstructural changes at scratch track cross-sections of a deformed brittle-ductile CrN-Cr bilayercitations
- 2020Model-Based Residual Stress Design in Multiphase Seamless Steel Tubescitations
- 2019Residual stress and microstructure evolution in steel tubes for different cooling conditions – Simulation and verificationcitations
- 2019Thermodynamic and mechanical stability of Ni3X-type intermetallic compoundscitations
- 2016In-situ Observation of Cross-Sectional Microstructural Changes and Stress Distributions in Fracturing TiN Thin Film during Nanoindentationcitations
- 2015Size Effects in Residual Stress Formation during Quenching of Cylinders Made of Hot-Work Tool Steelcitations
Places of action
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article
Thermodynamic and mechanical stability of Ni3X-type intermetallic compounds
Abstract
<p>Ni<sub>3</sub>X-type intermetallic compounds, also often referred to as γ′, γ<sup>″</sup>, and η precipitates in Ni-base alloys, have been investigated by first-principles methods. Thermodynamic and mechanical stability of Ni<sub>3</sub>X (X = Al, Ti, Nb, Mo, Fe, and Cr) compounds has been determined by density functional theory calculations of formation enthalpies and elastic properties of their L1<sub>2</sub>, D0<sub>22</sub> and D0<sub>24</sub> phases. In addition, we have investigated the site preference behavior of Al, Ti, Nb, Mo, Fe, and Cr solutes in the L1<sub>2</sub>-structure Ni<sub>3</sub>Al, Ni<sub>3</sub>Ti, and Ni<sub>3</sub>Nb intermetallic compounds and used this information to investigate the solubility of the aforementioned alloying elements. Our results show that the most stable structures of Ni<sub>3</sub>Al, Ni<sub>3</sub>Ti, Ni<sub>3</sub>Nb, Ni<sub>3</sub>Cr, Ni<sub>3</sub>Mo, and Ni<sub>3</sub>Fe at 0 K are L1<sub>2</sub>, D0<sub>24</sub>,D0<sub>22</sub>, D0<sub>24</sub>, D0<sub>22</sub>, and L1<sub>2</sub> respectively.</p>