Computational Study on Misfit Dislocation in Ni-Based Superalloys by Quasicontinuum Method

Abstract

Misfit dislocation at the γ⁄γ′ interface of Ni-based superalloys is investigated using the quasicontinuum simulation. In order to imitate the γ′ phases, nickel embedding function is modified by changing the lattice parameter, bulk modulus and cohesive energy simultaneously. Negative and positive misfits with different magnitudes are set in the simulations. Atomic structure at the interface, spatial distance and strain energy density at the core dislocation are investigated. Shear simulation is also conducted for a flat interface of γ⁄γ′ laminates, while the dislocation propagation and it’s interaction with interface are analyzed.