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

Misfit dislocation at the gamma/gamma' interface of Ni-based superalloys is investigated using the quasicontinuum simulation. In order to imitate the gamma' 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 in vestigated. Shear simulation is also conducted for a flat interface of gamma/gamma laminates, while the dislocation propagation and it's interaction with interface are analyzed. [doi:10.2320/matertrans.MB200821]