V. Rosato et al., PHASE-STABILITY OF NI-AL SOLID-SOLUTIONS, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 68(6), 1993, pp. 845-851
We have studied the stability of Ni(1-x)-Alx solid solutions at differ
ent stoichiometries (x = 0.25 and x = 0.5) via molecular dynamics simu
lations of models based on an n-body potential. The face-centred-cubic
solid solution with x = 0.25 is stable at room temperature against th
e ordering transformation which occurs at T = 360-degrees-C via the ac
tivation of vacancy diffusion with a release of a disordering enthalpy
of 8 kJ (g-atom)-1. The results obtained from the simulated model sho
w an intrinsic instability of the x = 0.5 solid solution which is cons
istent with experimental results that have revealed the direct formati
on of NiAl (B2) intermetallic phase accompanied by a considerable heat
release.