Elastic parameters of various rafted structures of model Ni-base alloys

摘要

Two-phase microstructure of ordered cube-shaped precipitates in the disordered matrix is characteristic of Ni-base superalloys. This microstructure degrades under the applied stress: depending on the stress direction, lattice misfit and elastic parameters of both constituent phases, the precipitates coalesce and change their overall shape. Various atomic configurations were modeled in this work representing various morphologies of precipitates developed under applied stress. A model Ni-base alloy containing six alloying elements typical of advanced Ni-based superalloys was used. Generated configurations were further subject to study of elastic parameters by means of computer straining experiments. Relaxation of atomic positions in the strained crystal blocks was implemented using molecular dynamics calculations with phenomenological Lennard-Jones pair potentials and interactions involving three coordination spheres. Changes of elastic parameters due to varying precipitates morphology are discussed.