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Segregation of alloying elements and their effects on the thermodynamic stability and fracture strength of γ-Ni/γ′-Ni3Al interface

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Abstract

The γ/γ’ phase interface, being the main plane defect in nickel-based single-crystal superalloys, can have a significant effect on the microstructural stability and mechanical properties of superalloys. To improve the thermodynamic stability and fracture strength of the γ-Ni/γ’-Ni3Al interface and gain insight into the underlying micro-mechanisms, the segregation tendency of 12 alloying elements X at the γ-Ni/γ’-Ni3Al interface and their effects on the interfacial formation and Griffith fracture works were investigated by using first-principles calculations. It is found that all alloying elements X can segregate to the corner-point site of the γ-Ni (001) layer except the element Y. The Re-, Ti-, Mo-, W-, Cr-, Nb-, Ta-, Hf- and Zr-segregated interfaces are more stable than the unalloyed interface due to the presence of pseudogap and lower values of densities of states at the Fermi level. The segregation of Ru, Co, Re, Mo, W, Cr, Nb and Ta strengthens the interfacial fracture strength, which can be mainly attributed to the enhanced bonding strengths of X–Ni bonds formed in these segregated interfaces. The interfacial segregation of Cr, Re, Mo, W, Nb and Ta can not only improve the thermodynamic stability but also enhance the fracture strength of the phase interface. The segregation of Ta and Re is able to improve the thermodynamic stability and fracture strength of the γ-Ni/γ’-Ni3Al interface to the maximum extent, respectively.

Graphic abstract

The effect of interfacial segregation of alloying elements on the fracture strength and thermodynamic stability of the γ-Ni/γ’-Ni3Al phase interface and the underlying mechanisms are studied.

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Acknowledgements

This work was financially supported by the Ministry of Science and Technology of China (Grant No. 2017YFA0700701), the Joint Fund between Shenyang National Laboratory for Materials Science and State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals (Grant No. 18LHPY003), the National Natural Science Foundation of China (Grant No. 11764027) and the Hongliu Excellent Young Talents Support Program of Lanzhou University of Technology. This work was performed in the Gansu Supercomputer Center.

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Authors and Affiliations

  1. State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou, 730050, China

    Fawaz Alnoman Mohammed Ahmed, Hong-Tao Xue, Fu-Ling Tang, Jun-Peng An, Ya-Qiao Luo, Xue-Feng Lu & Jun-Qiang Ren

  2. School of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou, 730050, China

    Fawaz Alnoman Mohammed Ahmed, Hong-Tao Xue, Fu-Ling Tang, Jun-Peng An, Ya-Qiao Luo, Xue-Feng Lu & Jun-Qiang Ren

  3. Department of Mathematics and Physics, Faculty of Education, Kassala University, Kassala, Sudan

    Fawaz Alnoman Mohammed Ahmed

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  1. Fawaz Alnoman Mohammed Ahmed
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Correspondence to Hong-Tao Xue or Fu-Ling Tang.

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Ahmed, F.A.M., Xue, HT., Tang, FL. et al. Segregation of alloying elements and their effects on the thermodynamic stability and fracture strength of γ-Ni/γ′-Ni3Al interface. J Mater Sci 55, 12513–12524 (2020). https://doi.org/10.1007/s10853-020-04854-6

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  • DOI: https://doi.org/10.1007/s10853-020-04854-6

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