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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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Nießen, Frank
Technical University of Denmark
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (23/23 displayed)
- 2024Efficient ab initio stacking fault energy mapping for dilute interstitial alloyscitations
- 2024Residual Stress Measurement across the Scales
- 2023Reconciling experimental and theoretical stacking fault energies in face-centered cubic materials with the experimental twinning stresscitations
- 2023Aging 17-4 PH martensitic stainless steel prior to hardeningcitations
- 2023Ab initio study of the effect of interstitial alloying on the intrinsic stacking fault energy of paramagnetic γ-Fe and austenitic stainless steelcitations
- 2022High resolution crystal orientation mapping of ultrathin films in SEM and TEMcitations
- 2021Parent grain reconstruction from partially or fully transformed microstructures in MTEX
- 2021Experimental validation of negative stacking fault energies in metastable face-centered cubic materialscitations
- 2021Multiscale in-situ studies of strain-induced martensite formation in inter-critically annealed extra-low-carbon martensitic stainless steelcitations
- 2020Strain, stress and stress relaxation in oxidized ZrCuAl-based bulk metallic glasscitations
- 2020Strain, stress and stress relaxation in oxidized ZrCuAl-based bulk metallic glasscitations
- 2020Evolution of substructure in low-interstitial martensitic stainless steel during temperingcitations
- 2018In-situ analysis of redistribution of carbon and nitrogen during tempering of low interstitial martensitic stainless steelcitations
- 2018Martensite Formation from Reverted Austenite at Sub-zero Celsius Temperaturecitations
- 2018In Situ Investigation of the Evolution of Lattice Strain and Stresses in Austenite and Martensite During Quenching and Tempering of Steelcitations
- 2018Formation and stabilization of reverted austenite in supermartensitic stainless steelcitations
- 2018Phase Transformations in Supermartensitic Stainless Steels
- 2017Kinetics analysis of two-stage austenitization in supermartensitic stainless steelcitations
- 2017Complementary Methods for the Characterization of Corrosion Products on a Plant-Exposed Superheater Tubecitations
- 2017Complementary Methods for the Characterization of Corrosion Products on a Plant-Exposed Superheater Tubecitations
- 2017Formation and stabilization of reversed austenite in supermartensitic stainless steel
- 2017Kinetics modeling of delta-ferrite formation and retainment during casting of supermartensitic stainless steelcitations
- 2016In Situ Techniques for the Investigation of the Kinetics of Austenitization of Supermartensitic Stainless Steelcitations
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article
Ab initio study of the effect of interstitial alloying on the intrinsic stacking fault energy of paramagnetic γ-Fe and austenitic stainless steel
Abstract
Intrinsic stacking fault energy (SFE) values of γ-Fe and AISI 304 austenitic stainless steels were determined as a function of carbon and nitrogen content using ab initio calculations. In contrast to previous investigations, the analysis was conducted incorporating the paramagnetic state to account for the magnetic constitution of real austenitic stainless steels. The effect of finite temperature was partially accounted for by performing ab initio calculations at the experimental volumes at room temperature. Including paramagnetism in γ-Fe increases the SFE of non-magnetic γ-Fe by ∼385 mJ.m −2 . Interstitial alloying of non-magnetic γ-Fe causes a linear increase in intrinsic stacking fault energy wγith interstitial content. In comparison, interstitial alloying of paramagnetic γ-Fe increases the SFE at only about half the rate. The SFE of paramagnetic interstitial-free AISI 304 is within the range of -12 to 0 mJ.m −2 and only deviates slightly from the SFE of paramagnetic γ-Fe. It follows a similar, albeit flatter linear dependency on the interstitial content compared to γ-Fe. Both γ-Fe and γ-AISI 304 were found to be metastable in their interstitial-free condition and are stabilized by interstitial alloying. The possible effect of short range ordering between interstitials and Cr on the SFE was discussed. The calculated threshold nitrogen content necessary to stabilize austenite in AISI 304 is in good agreement with experimental investigations of deformation microstructures in dependence of the nitrogen content. Finally, the calculated negative SFE values of AISI 304 were reconciled with experimentally determined positive SFE values using a recent method that accounts for the kinetics of stacking fault formation.