najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМОnajo-915Research ArticleСтатьиAb-initio study of Re and Ru effect on stability of TCP nanoparticles in Ni-based superalloysMedvedevaN. I.

Ekaterinburg

IvanovskiiA. L.

Ekaterinburg

medvedeva@ihim.uran.ruInstitute of Solid State Chemistry UB RASRussian Federation20141508202554486493Copyright © Medvedeva N.I., Ivanovskii A.L., 20252025Medvedeva N.I., Ivanovskii A.L.Medvedeva N.I., Ivanovskii A.L.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/915

Modern nickel-based superalloys contain high concentrations of rhenium that allows the improvement of their creep strength. The high levels of rhenium, however, results in the formation of topologically close-packed phases (TCP) which have a negative influence on its properties. The addition of ruthenium was found to reduce the precipitation of nano-sized TCP phases, but the reasons have not been established. In this paper, by using an ab-initio approach, we studied the effect of rhenium and ruthenium on the structural properties of Ni matrix as well as the TCP phases. We demonstrate that Cr, Mo and W are the most effective additions to provoke the formation of TCP phases, whereas ruthenium has a destabilizing effect.

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The authors declare that there are no conflicts of interest present.