The substitution behavior of some alloying elements in CoZr is investigated
using the discrete variational X alpha cluster method. The method proposed
by the author to predict the substitution behavior is amended to consider
the local lattice relaxation. A diagram is drawn based on the binding energ
ies of clusters with alloying elements taking either Co or Zr site. Two str
aight lines on the diagram separate the alloying elements into three groups
with different substitution behavior. The elements above the upper line wi
ll take Zr sites and those below the lower line will take Co sites regardle
ss of the composition. The substitution behavior of elements in between the
two lines will be affected by the alloy composition. The concept of site c
ompetition and step ordering is proposed.