M. Khantha et al., ATOMISTIC MODELING OF PLANAR FAULTS, DISLOCATIONS AND TWINS IN A NONCUBIC INTERMETALLIC COMPOUND, Modelling and simulation in materials science and engineering, 2(3A), 1994, pp. 587-596
This paper describes the nature of planar faults, atomic configuration
s of dislocation cores and a mechanism for the nucleation of twins in
a model DO22 intermetallic compound. The results are in good agreement
with TEM observations of dislocations and twins in Ni3V, Which crysta
llizes in this structure. The calculations are also helpful in underst
anding the general deformation features of DO22 compounds.