Footnotes

* Perhaps the only other concept that has exerted such a tremendous influence on the development of materials science, was that of a "phase", introduced by Josiah-Willard Gibbs in 1873-1876 in his famous monograph "On the Equilibrium of Heterogeneous Substances", [7].

** We used the Voter-Chen EAM-potential to obtain a relaxed configuration of the edge dislocation with b=aO[100] on (001) glide plane. Periodic boundary conditions (BCs) have been imposed in the z-direction (coinciding with the dislocation line) with different types of BCs considered in the x- and y-directions. This slip system, dominant for B2 NiAI, was not observed experimentally in Ni3AI. However, as can be seen from Fig. 1, a stable dislocation core with easily recognizable structure was forrned in our simulations, and it can be considered as a good example of the Peierls model of a dislocation, [3].

*** We do not consider in this work a numerical approach described in detail by Kubin which is connected with the direct evaluation of forces acting between dislocations using the Peach-Koehler equationl [11].