Stacking fault energy, yield stress anomaly, and twinnability of Ni3Al: A first principles study*
Liu Li-Lia), Wu Xiao-Zhi†a),b), Wang Ruia), Li Wei-Guoc), Liu Qing‡b)
       
The calculated generalized stacking fault energy for Ni3Al for the temperature range 0–900 K. The discrete points denote the values of first principles calculations and the curves indicate the results from polynomial fitting. (a) Displacement along ⟨112⟩{111}( a /61/2), (b) displacement along ⟨112⟩{111}(61/2 a /3), (c) displacement along ⟨110⟩{111}(21/2/ a ), and (d) displacement along ⟨110⟩{010}(21/2 a ).