The suggested effective potential approach allows to describe the change in phase relations. The evaluation of the internal mixing energy of alloys is carried out in the framework of the static concentration waves theory of Khachaturyan. The model outlines the technique to calculate the values of the energy parameters of ordering process from the first principles. On the basis of non-empirical pair potential the temperature dependence of the long-range order parameter of NiTi and AuPd are plotted.
ASJC Scopus subject areas
- Condensed Matter Physics