TY - JOUR
T1 - First-principles study of a tungsten-free γ-γ' Co-Al-Mo-Nb class cobalt-based superalloy and the alloying effect of Ti addition
AU - Wang, Zihan
AU - Zhang, Jianxin
AU - Zhang, Youjian
AU - Jin, Huixin
AU - Zhang, Wenyang
N1 - Funding Information:
Acknowledgment This work was supported by the National Natural Science Foundation of China (Grant Numbers 51971118, 51771102, and 51471098).
Publisher Copyright:
© 2020 The Physical Society of Japan
PY - 2020/12
Y1 - 2020/12
N2 - The tungsten-free γ-γ' Co-Al-Mo-Nb class cobalt-based superalloy and the alloying effect of Ti were studied by analyzing the phase stability, electronic structure and elastic properties, using first-principles study. It is found that the addition of Nb and Ti decreases the formation enthalpy of the system and stabilizes Co3(Al, Mo) phase. For Co-Al-Mo-Nb alloys, Nb prefers to occupy Mo4 site, while for Co-Al-Mo-Nb-Ti alloys, Nb and Ti prefer Mo3 site. Moreover, the addition of Nb and Ti in Co3(Al, Mo) declines the resistance to monoclinic shear in (100) plane and the hardness but improves the ductility which even exceeds that of Ni3Al. As this new alloy solves the problems of high density and low ductility of Co3(Al, W), it makes Co-based superalloy possess a better prospect.
AB - The tungsten-free γ-γ' Co-Al-Mo-Nb class cobalt-based superalloy and the alloying effect of Ti were studied by analyzing the phase stability, electronic structure and elastic properties, using first-principles study. It is found that the addition of Nb and Ti decreases the formation enthalpy of the system and stabilizes Co3(Al, Mo) phase. For Co-Al-Mo-Nb alloys, Nb prefers to occupy Mo4 site, while for Co-Al-Mo-Nb-Ti alloys, Nb and Ti prefer Mo3 site. Moreover, the addition of Nb and Ti in Co3(Al, Mo) declines the resistance to monoclinic shear in (100) plane and the hardness but improves the ductility which even exceeds that of Ni3Al. As this new alloy solves the problems of high density and low ductility of Co3(Al, W), it makes Co-based superalloy possess a better prospect.
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U2 - 10.7566/JPSJ.89.124714
DO - 10.7566/JPSJ.89.124714
M3 - Article
AN - SCOPUS:85098171428
SN - 0031-9015
VL - 89
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
IS - 12
M1 - 124714
ER -