Evaluation of the Component Chemical Potentials in Analytical Models for Ordered Alloy Phases

Abstract EN

The component chemical potentials in models of solution phases with a fixed number of sites can be evaluated easily when the Helmholtz energy is known as an analytical function of composition.

In the case of ordered phases, however, the situation is less straightforward, because the Helmholtz energy is a functional involving internal order parameters.

Because of this, the chemical potentials are usually obtained numerically from the calculated integral Helmholtz energy.

In this paper, we show how the component chemical potentials can be obtained analytically in ordered phases via the use of virtual cluster chemical potentials.

Some examples are given which illustrate the simplicity of the method.