| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Zapolsky, Helena
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2024Atomistic Modelling of η -Fe2C Formation During Low-Temperature Tempering of Martensitic Carbon Steel
- 2021Size-Dependent Solute Segregation at Symmetric Tilt Grain Boundaries in α-Fe: A Quasiparticle Approach Studycitations
- 2020Nanostructure in Fe0.65Cr0.35 close to the upper limit of the miscibility gap ; Contents lists available at ScienceDirectcitations
- 2019Morphological instability of iron-rich precipitates in Cu Fe Co alloyscitations
- 2018Carbon diffusivity and kinetics of spinodal decomposition of martensite in a model Fe-Ni-C alloycitations
- 2017Effect of interstitial carbon distribution and nickel substitution on the tetragonality of martensite: A first-principles studycitations
- 2011Numerical approximation of the Cahn−Hilliard equation with memory effects in the dynamics of phase separation
- 2011Atomic-scale modeling of nanostructure formation in Fe–Ga alloys with giant magnetostriction: Cascade ordering and decompositioncitations
- 2010Kinetics of cubic to tetragonal transformation in Ni-V-X alloys.citations
- 2008Coarsening Kinetic of Aluminium-Scandium and Aluminium-Zirconium-Scandium Precipitates
Places of action
| Organizations | Location | People |
|---|
article
Effect of interstitial carbon distribution and nickel substitution on the tetragonality of martensite: A first-principles study
Abstract
International audience ; By using first principles calculations, the effects of carbon distribution and of 25 at.% of nickel substitution on the tetragonality of ferrous martensite have been investigated. Different carbon concentrations have been considered (0≤x c ≤ 12.5 at.%). All calculations were based on the Projector Augmented Wave (PAW) method of the Density Functional Theory (DFT). The Special Quasirandom Structure (SQS) method has been used to model the disordered structures of the Fe 16 C 2X and (Fe,Ni) 16 C 2X systems. Our calculations demonstrate that the lattice parameters a and c vary linearly with carbon concentration, up to the high value of x c = 12.5 at.% (for X = 1). The nickel substitution enhances the expansion of parameter c of the Fe 16 C 2X system up to 37%. This trend is correlated with the shear moduli calculated for bcc-iron and the disordered Fe25 at.%Ni structure. The mixing energies of the Fe 16 C 2X and (Fe,Ni) 16 C 2X systems indicate that the unmixing of martensite by spinodal decomposition is favoured by the nickel substitution. It is shown that carbon-carbon interactions are mostly repulsive until the distance of two bcc-iron lattice parameters.