| 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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Mottura, Alessandro
University of Birmingham
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2024First-principles calculations of intrinsic stacking fault energies and elastic properties in binary nickel alloyscitations
- 2018First-principles modeling of superlattice intrinsic stacking fault energies in Ni3Al based alloys
- 2018First-principles modeling of the temperature dependence for the superlattice intrinsic stacking fault energies in L12 Ni75-xXxAl25 alloyscitations
- 2018A kinetic Monte Carlo study of vacancy diffusion in non-dilute Ni-Re alloyscitations
- 2017First-principles calculations of thermodynamic properties and planar fault energies in Co3X and Ni3X L12 compoundscitations
- 2016Alloys-by-designcitations
- 2015High resolution energy dispersive spectroscopy mapping of planar defects in L12-containing Co-base superalloyscitations
- 2014Three-dimensional characterization of the permeability of W–Cu composites using a new “TriBeam” techniquecitations
- 2014Can slow-diffusing solute atoms reduce vacancy diffusion in advanced high-temperature alloys?citations
- 2014Nickel-rhenium compound sheds light on the potency of rhenium as a strengthener in high-temperature nickel alloyscitations
- 2014Modelling of the influence of alloy composition on flow stress in high-strength nickel-based superalloyscitations
- 2012A first-principles study of the effect of Ta on the superlattice intrinsic stacking fault energy of L12-Co3(Al,W)citations
- 2010Atom probe tomography analysis of the distribution of rhenium in nickel alloyscitations
- 2010Analysis of atomic-scale phenomena and the rhenium effect in nickel superalloys
- 2008A critique of rhenium clustering in Ni-Re alloys using extended X-ray absorption spectroscopycitations
Places of action
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article
First-principles calculations of thermodynamic properties and planar fault energies in Co3X and Ni3X L12 compounds
Abstract
We do Density Functional Theory based total-energy calculations of the L12 phase in Co3X and Ni3X compounds, X being a transition metal element. The lattice parameters, magnetic moments, formation enthalpies, are determined and compared with the available experimental data. The (111) superlattice intrinsic stacking fault energy (SISF), a crucial factor affecting materials strength and their mechanical behavior is calculated using the axial interaction model. We have applied the quasiharmonic Debye model in conjunction with first-principles in order to establish the temperature dependence of the lattice parameters and the (111) SISF energies. We investigate our prediction of a low formation enthalpy in the system Ni-25 at.%Zn by doing auxiliary simulations for the fcc random alloy at the composition 25 at.%Zn. Our simulations indicate that the elements: Ti, Zr, Hf, Nb and Ta can help stabilizing the promising and extremely important Co3Al0.5W0.5 alloy.