  Short-range order (SRO) in Fe-rich Fe-Cr alloys is investigated by means of
atomistic off-lattice Monte Carlo simulations in the semi-grand canonical
ensemble using classical interatomic potentials. The SRO parameter defined by
Cowley [Phys. Rev. B 77, 669 (1950)] is used to quantify the degree of
ordering. In agreement with experiments a strong ordering tendency in the Cr
distribution at low Cr concentrations (~< 5%) is observed, as manifested in
negative values of the SRO parameters. For intermediate Cr concentrations (5%
~< c_Cr ~< 15%) the SRO parameter for the alpha-phase goes through a minimum,
but at the solubility limit the alpha-phase still displays a rather strong SRO.
In thermodynamic equilibrium for concentrations within the two-phase region the
SRO parameter measured over the entire sample therefore comprises the
contributions from both the alpha and alpha-prime phases. If both of these
contributions are taken into account, it is possible to quantitatively
reproduce the experimental results and interpret their physical implications.
It is thereby shown that the inversion of the SRO observed experimentally is
due to the formation of stable (supercritical) alpha-prime precipitates. It is
not related to the loss of SRO in the alpha-phase or to the presence of
unstable (subcritical) Cr precipitates in the alpha-phase.
