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- W4307085116 abstract "Re is an important alloying element to improve the high temperature performance of Ni-based single crystal superalloys, and has a segregation tendency to the γ/γ' phase interface. Hydrogen embrittlement introduced by hydrogenated vacancies (H-Vacs) severely reduces the service life of alloys. However, the formation mechanism of hydrogenated vacancy (H-Vac) and its effects on the Re-segregated γ/γ' phase interface are still unclear. In this work, the first-principles simulations are applied to clarify the formation of H-Vac and its effects on the thermodynamic stability and mechanical properties of Re-containing γ/γ' phase interface. We find that at the Re-containing γ/γ' phase interfaces, the hydrogen atom is more likely to dissolve in the first-nearest-neighbor (1st-NN) octahedral interstices of vacancy than in the 2nd-NN octahedral interstices. The Vac-containing γ/γ' phase interface can be stabilized when hydrogen atom dissolves in 1st-NN octahedral interstices to form H-Vac complex. For the Re-containing γ/γ' phase interface, the formation of the H-Vac complex does not change its preferential cleavage plane. Moreover, the fracture strength of the Re-containing γ/γ' phase interface is always higher than that of the Re-free γ/γ' phase interface. Thus, Re can enhance the interfacial fracture strength, which is also verified by the first-principles computational tensile tests." @default.
- W4307085116 created "2022-10-24" @default.
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- W4307085116 date "2023-01-01" @default.
- W4307085116 modified "2023-10-15" @default.
- W4307085116 title "Hydrogenated vacancy induced changes in thermodynamic stability and mechanical properties of Re-containing γ-Ni/γ'-Ni3Al phase interface" @default.
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- W4307085116 doi "https://doi.org/10.1016/j.commatsci.2022.111853" @default.
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