Multi-scale computer simulation of dislocation motion in nickel base superalloy

Akiyuki Takahashi, Naoki Soneda, Akiyoshi Nomoto, Genki Yagawa

Research output: Contribution to journalArticlepeer-review


Multi-scale computer simulation technique is applied to the study of the dislocation behavior in nickel base superalloys. The keys of this simulation are the modeling of the interactions of dislocations with γ′ precipitates, and the treatment of complicated behavior of dislocations in complex microstructure of nickel base superalloy. The strength of a γ′ particle as an obstacle to dislocation motion is calculated by means of molecular dynamics (MD) simulations. The strength of a γ′ cube is modeled basing on the consideration of the energy increase by the formation of anti-phase boundary due to cut of the γ′ phase by a dislocation. These models are implemented into the dislocation dynamics (DD) code, which is very successfully applied in this study to the simulations of the evolution of the dislocation microstructures with different γ′ obstacle arrangements. The present simulations clearly demonstrate that the multi-scale computer simulation strategy has capability to predict mechanical property such as stress-strain relationships starting from atomistic-level information on the dislocation-obstacle interaction. This technique should be very promising to understand the fundamental mechanisms of dislocation behavior in other materials.

Original languageEnglish
Pages (from-to)697-704
Number of pages8
JournalNippon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A
Issue number4
Publication statusPublished - Apr 2003


  • Dislocation dynamics
  • Molecular dynamics
  • Multi-scale computer simulation
  • Nickel base super-alloy


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