Phase Stability Study of the Shape Memory Alloy CuAl-X (X: Be, Zn, Ti, Ni, Ag and Au) by Ab Initio Calculations

Nassim Boudalia (1) , Jean Marc Raulot (1, 2) , Etienne Patoor (3) , Claude Esling (1, 2)

1 LEM3 - Laboratoire d'Etude des Microstructures et de Mécanique des Matériaux
2 Labex DAMAS
3 Georgia Tech Lorraine [Metz]

Shape memory alloys (SMA) have been at the forefront of research in recent years. They have been used for a wide variety of applications in various fields. This work presents a brief study at the atomic scale of Cu-Al based Shape Memory Alloys. Using first-principles Density Functional Theory (DFT) method, the stability of different austenitic and martensitic phases of Cu3Al, the effect of intrinsic vacancies, the doping effect by an element X (X = Be, Zn, Ti, Ni, Ag and Au) have been studied.

Mots clés: Cu3Al Doped; Density Functional Theory (DFT); Phase Stability; Shape Memory Alloys (SMA); Smart Material

Domaines: Matériaux

Nassim Boudalia, Jean Marc Raulot, Etienne Patoor, Claude Esling. Phase Stability Study of the Shape Memory Alloy CuAl-X (X: Be, Zn, Ti, Ni, Ag and Au) by Ab Initio Calculations. Materials Science Forum, 2016, 879, pp.250-255. ⟨10.4028/www.scientific.net/MSF.879.250⟩. ⟨hal-02310269⟩