| People | Locations | Statistics |
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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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Li, Wei
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (31/31 displayed)
- 2024Elucidating the Non-Covalent Interactions that Trigger Interdigitation in Lead-Halide Layered Hybrid Perovskites.citations
- 2024Elucidating the non-covalent interactions that trigger interdigitation in lead-halide layered hybrid perovskitescitations
- 2024Polycrystalline silicon, a molecular dynamics study : I. Deposition and growth modescitations
- 2024Polycrystalline silicon, a molecular dynamics study: Part I --- Deposition and growth modescitations
- 2024AM-SegNet for additive manufacturing in situ X-ray image segmentation and feature quantification
- 2024Efficient ab initio stacking fault energy mapping for dilute interstitial alloyscitations
- 2024Polycrystalline silicon, a molecular dynamics study: Part II --- Grains, grain boundaries and their structurecitations
- 2023Reconciling experimental and theoretical stacking fault energies in face-centered cubic materials with the experimental twinning stresscitations
- 2023Hard and tough novel high-pressure $γ-Si_3N_4/Hf_3N_4$ ceramic nanocompositescitations
- 2023Forecasting the Friction Coefficient of Rubbing Zirconia Ceramics by Titanium Alloycitations
- 2023Inferring mechanical properties of the SARS-CoV-2 virus particle with nano-indentation tests and numerical simulationscitations
- 2023Ab initio study of the effect of interstitial alloying on the intrinsic stacking fault energy of paramagnetic gamma-Fe and austenitic stainless steelcitations
- 2023Ab initio study of the effect of interstitial alloying on the intrinsic stacking fault energy of paramagnetic γ-Fe and austenitic stainless steelcitations
- 2022Single-source-precursor derived bulk Si3N4HfBxN(1-x) ceramic nanocomposites with excellent oxidation resistancecitations
- 2021An organic-inorganic hybrid scaffold with honeycomb-like structures enabled by one-step self-assembly-driven electrospinningcitations
- 2021An organic-inorganic hybrid scaffold with honeycomb-like structures enabled by one-step self-assembly-driven electrospinningcitations
- 2021Intracellular delivery of budesonide and polydopamine co-loaded in endosomolytic poly(butyl methacrylate-co-methacrylic acid) grafted acetalated dextran for macrophage phenotype switch from M1 to M2citations
- 2020In Situ N-Doped Graphene and Mo Nanoribbon Formation from Mo2Ti2C3 MXene Monolayers
- 2020Pompon Dahlia-like Cu2O/rGO Nanostructures for Visible Light Photocatalytic H2 Production and 4-Chlorophenol Degradationcitations
- 2020Intracellular co-delivery of melanin-like nanoparticle and budesonide by endosomolytic polymeric materials for anti-inflammatory therapy
- 2019Red-Shifted Absorptions of Cation-Defective and Surface-Functionalized Anatase with Enhanced Photoelectrochemical Propertiescitations
- 2017Picrasidine G decreases viability of MDA-MB 468 EGFR-overexpressing triple-negative breast cancer cells through inhibition of EGFR/STAT3 signaling pathway.citations
- 2017Decomposition of CoF3 during Battery Electrode Processing
- 2017Rubidium Multication Perovskite with Optimized Bandgap for Perovskite-Silicon Tandem with over 26% Efficiencycitations
- 2017Thermal expansion in FeCrCoNiGa high-entropy alloy from theory and experimentcitations
- 2016Enhancing the Optoelectronic Performance of Perovskite Solar Cells via a Textured CH3NH3PbI3 Morphologycitations
- 2016Enhancing the optoelectronic performance of perovskite solar cells via a textured CH3NH3PbI3 morphologycitations
- 2015Microfluidic chip designs process optimization and dimensional quality controlcitations
- 2015Elastic properties and acoustic dissipation associated with a disorder–order ferroelectric transition in a metal–organic frameworkcitations
- 2013Initial stage of free pressureless spark-plasma sintering of vanadium carbide: Determination of surface diffusion parameterscitations
- 2001Doping and carrier transport in Ga1−3xIn3xNxAs1−x alloyscitations
Places of action
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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.