Molecular dynamics simulation of dislocation- γ -precipitate interactions in γ'-precipitates

Akiyuki Takahashi, Yutaro Terada

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

4 Citations (Scopus)


There are clear experimental evidences of the formation of either spherical or platelet γ-precipitates inside cubic γ-precipitates in nickel-based superalloys, which strengthen the mechanical property of the alloy. In this work, molecular statics (MS) and dynamics (MD) simulations of the interaction between a super edge dislocation and a γ-precipitate in γ'-precipitates were performed. The strengthening mechanism was then investigated by comparing the simulation results with the theoretical prediction. As the result, it could be found that the critical resolved shear stress (CRSS) of the interaction has a strong dependence on the shape of the γ-precipitate, and could be well predicted by the theory of precipitation strengthening. Especially, the stacking-fault, chemical, coherency and interface strengthening play a major role in determining the CRSS. Finally, the interaction under a finite temperature was simulated using the MD simulations. It was found that the influence of temperature on the interaction is negligibly small.

Original languageEnglish
Title of host publicationFracture and Strength of Solids VII
PublisherTrans Tech Publications Ltd
Number of pages6
ISBN (Print)9780878492107
Publication statusPublished - 2011

Publication series

NameKey Engineering Materials
ISSN (Print)1013-9826
ISSN (Electronic)1662-9795


  • Dislocation-precipitate interaction
  • Molecular dynamics
  • Precipitation strengthening
  • γ -precipitate


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