| 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 |
|
Verstraete, Matthieu
University of Liège
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (13/13 displayed)
- 2023Ab initio calculation of thermoelectric properties in 3d ferromagnets based on spin-dependent electron-phonon couplingcitations
- 2023Vibrational properties of Molybdenum Sulphides at finite T combining ab initio methods and Machine Learning
- 2023Investigation and field effect tuning of thermoelectric properties of SnSe2 flakescitations
- 2022Erratumcitations
- 2022Strong effect of crystal structure on the proximity effect between a superconductor and monolayer of cobaltcitations
- 2021Assessing Nickel Titanium Binary Systems Using Structural Search Methods and Ab Initio Calculationscitations
- 2021Fröhlich polaron effective mass and localization length in cubic materialscitations
- 2021(Invited) Ab Initio Exciton and Phonon Dynamics in Transition Metal Dichalcogenides
- 2020Thermoelectric properties of elemental metals from first-principles electron-phonon couplingcitations
- 2019Spin States Protected from Intrinsic Electron–Phonon Coupling Reaching 100 ns Lifetime at Room Temperature in MoSe2citations
- 2014First-principles study of the lattice dynamical properties of strontium ruthenatecitations
- 2013LaAu2 and CeAu2 surface intermetallic compounds grown by high-temperature deposition on Au(111)citations
- 2004Structural and electronic properties of Ag-Pd superlatticescitations
Places of action
| Organizations | Location | People |
|---|
article
Assessing Nickel Titanium Binary Systems Using Structural Search Methods and Ab Initio Calculations
Abstract
<p>Nickel titanium, also know as nitinol, is a prototypical shape memory alloy, a property intimately linked to a phase transition in the microstructure, which allows the meso/macroscopic sample shape to be recovered after thermal cycling. Not much is known about the other alloys in this binary system, which prompted our computational investigation of other compositions. In this work, structures are found by probing the potential energy surfaces of NiTi binary systems using a minima hopping method, in combination with ab initio electronic structure calculations. We find stable structures in 34 different stoichiometries and calculate derived physical properties of the low energy phases. From the results of this analysis a new convex hull is formed that is lower in energy than those in the Materials Project and Open Quantum Materials Databases. Two previously unreported phases are discovered for the NiTi2 and Ni5Ti compositions, and two metastable states in NiTi and NiTi2 shows signs of negative linear compression and negative Poisson ratio, respectively.</p>