Theoretical Exploration of Alloying Effects on Stabilities and Mechanical Properties of γ'Phase in Novel Co-Al-Nb-Base Superalloys

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外文摘要：The new developed γ/γ'Co-Al-Nb-base alloys show great potentials as high-temperature materials.However,finding appro-priate compositions to improve performance of alloys still poses a great challenge to the development of Co-Al-Nb-base alloys.Motivated by the lack of alloying effects on fundamental properties of critical γ'phase,we systematically performed a theoretical investigation on the effect of alloying elements TM(TM:Ti,V,Cr,Zr,Mo,Ta,W,Re,and Ru)on phase sta-bilities and mechanical properties of Ll2-type γ'(Co,Ni)3(Al,Nb).By analyzing the stability of γ'phase with respect to its competitive B2 and D019 phases,the results shown that Ti,V,and Cr enhance the Ll2 stability and widen the Ll2-D019 energy barrier,in which V yields the maximum influence.The analysis of electronic structure indicated that the alternation of valence electrons at fermi level would be the atomic origin for doping TM in γ'phase.The calculated results of mechanical properties shown that V and Cr are expected to be optimal dopant for enhancing the strength and the ductility of γ'phase.The addition of Ta is also beneficial for enhancing the strength at the slight expense of ductility of γ'phase.By drawing the mechanical maps,the preferred composition range for the phases with desired properties is roughly demarcated in theory for the multi-addition of V/Cr and V/Ta in γ'phase.The findings would be useful for optimizing the performance of novelγ/γ'Co-Al-Nb-base superalloys.

外文关键词：

Co-Al-Nb-base superalloysγ/γ'dual-phasePhase stabilityMechanical propertiesFirst-principle methods

作者：

Guan-Cheng Gu、Zhao-Jing Han、Ze-Yu Chen、Zhao-Xuan Li、Sheng-Bao Xia、Zheng-Ning Li、Hua Jin、Wei-Wei Xu、Xing-Jun Liu

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作者单位：

Shenzhen Research Institute of Xiamen University,School of Aerospace Engineering,Xiamen University,Xiamen 361005,China

Institute of Materials Genome and Big Data,Harbin Institute of Technology,Shenzhen 518055,China

基金：

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaShenzhen Science and Technology ProgramFundamental Research Funds for the Central UniversitiesGuided Subject of Dean's Fund

项目编号：

52371014U22B20132JCYJ2023080709140100420720230036YZJJ-YDL-0004

出版年：

2024

DOI：

10.1007/s40195-024-01694-0

金属学报(英文版)

中国金属学会

金属学报(英文版)

CSTPCD

影响因子：0.77

ISSN：1006-7191

年,卷(期)：2024.37(7)