The Monte Carlo simulations were carried out to clarify the ordering m
echanisms in fee-based Ni-Mo alloys of Ni4Mo, Ni3Mo and Ni2Mo. When th
e pairwise atomic interactions up to the eighth coordinate shells are
taken into account, the simulation results are consistent with the exp
erimental changes in electron diffraction pattern during the ordering
processes in Ni4Mo, Ni3Mo and Ni2Mo alloys. In the early stage of orde
ring, subunit cell clusters of D1(a), D0(22) and Pt2Mo structures are
first generated to form the short range ordered (SRO) state. The selec
tive growth of stable D1(a) and/or Pt2Mo-type ordered domains is invol
ved in the transition to the long range ordered (LRO) state in the fol
lowing stage.