Computer simulation of the formation of v-precipitates in nickel-based superalloys

Akiyuki Takahashi, Mitsuru Kawanabe, Masanori Kikuchi

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

1 Citation (Scopus)

Abstract

Recent 3-Dimensional Atom Probe (3DAP) experimental observations showed the formation of spherical γ-precipitates at a central region of γ' phases in nickel based superalloys. The γ precipitates should give a significant effect to the material strength. Whereat, in this work, we first developed a simulation technique for the investigation of the formation of γ-precipitates in γ' phases, which is based on a combination of an Embedded Atom Method (EAM) interatomic potential designed for Molecular Dynamics (MD) and the kinetic lattice Monte Carlo (KLMC) method. As a demonstration of the KLMC simulation, the formation of the L12 structure was simulated from an initial state with randomly distributed aluminum atoms (25at.%Al). Finally, the γ' phase with the L12 structure is formed in the entire simulation volume. To understand the fundamental mechanism of the formation of the L12 structures, the binding energies between a pair of aluminum atoms in a nickel single crystal were calculated using MD method. The result gave a clear picture of the mechanism. The stability of the γ-precipitate was also investigated using the MD method. Finally, the formation of y-precipitates was simulated using the KLMC method. The dependence of the formation on the temperature condition is discussed.

Original languageEnglish
Title of host publicationAdvances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007)
PublisherTrans Tech Publications
Pages815-820
Number of pages6
ISBN (Print)0878493999, 9780878493999
Publication statusPublished - 1 Jan 2008
Event7th International Conference on Fracture and Strength of Solids, FEOFS 2007 - Urumqi, China
Duration: 27 Aug 200729 Aug 2007

Publication series

NameAdvanced Materials Research
Volume33-37 PART 2
ISSN (Print)1022-6680

Conference

Conference7th International Conference on Fracture and Strength of Solids, FEOFS 2007
Country/TerritoryChina
CityUrumqi
Period27/08/0729/08/07

Keywords

  • Kinetic lattice Monte Carlo
  • Molecular dynamics
  • Nickel-based superalloys
  • γ -precipitates

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