Computer simulation of P-V diagrams of noblemetal alloys

An original method of calculating the Equation of State (EOS) of alloys based on the electron density functional method is proposed. This model functional makes it easier to calculate properties of alloys with arbitrary values of order parameter, with the crystal structure, with component concentration at the equilibrium and under pressure. As an illustration of possibilities of this method $P$-$V$ diagrams have been constructed and the pressure dependencies of bulk modulus have been calculated for disordered alloys with crystal structure $AI$, $BI$, $LI_0$, $LI_2$ of next systems: Cu-Au, Cu-Ag, Ag-Au. The obtained results show that the description for the interatomic interaction to be adequate and allow method to be applied in the computer simulation of alloy properties.