TY - JOUR
T1 - Effect of alloying elements on stacking fault energies of γ and γʹ phases in Ni-based superalloy calculated by first principles
AU - Yang, Wenchao
AU - Qu, Pengfei
AU - Sun, Jiachen
AU - Yue, Quanzhao
AU - Su, Haijun
AU - Zhang, Jun
AU - Liu, Lin
N1 - Publisher Copyright:
© 2020 Elsevier Ltd
PY - 2020/11
Y1 - 2020/11
N2 - The first-principle calculations were employed to investigate the effect of alloying elements on stacking fault energies of γ-Ni and γʹ-Ni3Al phases in Ni-based single crystal superalloys. The results showed that Co, Cr, Mo, Ta, Ti, W, Re and Ru elements decreased the stacking fault energy of γ-Ni phase with increasing the concentration, but increased the stacking fault energy of γʹ-Ni3Al phase except Co and Cr elements. And, Co had a more significant effect than Cr in decreasing the unstable stacking fault energies of two phases. Furthermore, the interaction effect of Co and Cr elements was calculated that it significantly reduced the stable stacking fault energy of γ′ phase but had no obvious effect on the that of γ phase. Finally, two alloys with different Co contents were crept at 750 °C/750 MPa condition, and the creep life in 12Co alloy was about 118 h, which was basically half of that in 9Co alloy (242 h). The microstructure observation indicated that the width of stacking fault in γ′ phase in 12Co alloy was increased by 51.8 nm, and the stable stacking faults energy of γ′ phase was reduced by 9.1 mJ/m2 compared to those in 9Co alloy.
AB - The first-principle calculations were employed to investigate the effect of alloying elements on stacking fault energies of γ-Ni and γʹ-Ni3Al phases in Ni-based single crystal superalloys. The results showed that Co, Cr, Mo, Ta, Ti, W, Re and Ru elements decreased the stacking fault energy of γ-Ni phase with increasing the concentration, but increased the stacking fault energy of γʹ-Ni3Al phase except Co and Cr elements. And, Co had a more significant effect than Cr in decreasing the unstable stacking fault energies of two phases. Furthermore, the interaction effect of Co and Cr elements was calculated that it significantly reduced the stable stacking fault energy of γ′ phase but had no obvious effect on the that of γ phase. Finally, two alloys with different Co contents were crept at 750 °C/750 MPa condition, and the creep life in 12Co alloy was about 118 h, which was basically half of that in 9Co alloy (242 h). The microstructure observation indicated that the width of stacking fault in γ′ phase in 12Co alloy was increased by 51.8 nm, and the stable stacking faults energy of γ′ phase was reduced by 9.1 mJ/m2 compared to those in 9Co alloy.
KW - Alloying element
KW - Creep
KW - First principles
KW - Ni-based single crystal superalloys
KW - Stacking fault energy
UR - http://www.scopus.com/inward/record.url?scp=85089427264&partnerID=8YFLogxK
U2 - 10.1016/j.vacuum.2020.109682
DO - 10.1016/j.vacuum.2020.109682
M3 - 文章
AN - SCOPUS:85089427264
SN - 0042-207X
VL - 181
JO - Vacuum
JF - Vacuum
M1 - 109682
ER -