Computer Simulation of the Formation of γ-Precipitates in Nickel-Based Superalloys
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 γ-precipitates was simulated using the KLMC method. The dependence of the formation on the temperature condition is discussed.
Wei Yang, Mamtimin Geni, Tiejun Wang and Zhuo Zhuang
A. Takahashi, M. Kawanabe, M. Kikuchi, "Computer Simulation of the Formation of γ-Precipitates in Nickel-Based Superalloys", Advanced Materials Research, Vols. 33-37, pp. 815-820, 2008