First-principles calculation of stacking fault energies in Ni₂(Cr, Mo)

The possible slip systems in Ni₂Cr, Ni₂Mo and Ni₄MoCr, which are the main types of precipitates in technically important Ni-based alloys, are investigated using density functional theory-based calculations. The 12 most common slip systems, which are further reduced to four distinct systems due to the symmetry of the precipitate, are considered. The most and least favorable slip system have been identified through the general stacking fault energies analysis, which paves the way to further understand the strengthening mechanisms in the alloys containing these and similar types of precipitates.