Molecular dynamics simulation of the γ’ phase deformation behaviour in nickel-based superalloys

Yang CHEN, Zhihao YAO*, Jianxin DONG, Wenyuan ZHAO, Hang XIAO, Xi CHEN

*Corresponding author for this work

Research output: Journal PublicationsJournal Article (refereed)peer-review

1 Citation (Scopus)


The effects of γ′ phase volume fraction, morphology and size on tensile deformation behaviour of Ni-based superalloys at 300 K were studied using molecular dynamics simulation. The differences caused by different parameters were discussed in terms of atomic structure evolution, dislocation motion and stress–strain curve. The results showed that when the volume fraction of the γ′ phase was between 50% and 70%, the tensile strength and elongation increased with the volume fraction, but the variation trend was opposite when it was less than 50%. The cubic γ′ phase produced larger resistance to plastic deformation. Models with different-sized γ′ phases contributed to different fracture modes. Dislocation pile-up was avoided owing to the progressive movement of partial dislocations. © 2022 Institute of Materials, Minerals and Mining.
Original languageEnglish
Pages (from-to)1439-1450
Number of pages12
JournalMaterials Science and Technology
Issue number17
Early online date20 Jun 2022
Publication statusPublished - 2022
Externally publishedYes

Bibliographical note

This research was funded by the National Natural Science Foundation of China [grant number 51771017], etc. Thanks for the support of major national R&D projects. The authors would like to thankfully appreciate Prof. Chen Xi and Dr. Xiao Hang for illuminative guiding and constructive suggestions.


  • embedded model
  • microstructure evolution
  • Molecular dynamics
  • Ni-based superalloys
  • tensile property


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