Abstract
The results of studying the dynamics of disordered alloys by the method of collective variables are presented. The densities of phonon states of disordered alloys with BCC structure of the kxrb1-x system are calculated. The contribution of phonons to the free energy and entropy of the alloy at different temperatures is determined. It is shown that the contribution of phonons to the total free energy of the alloy decreases with decreasing temperature. The contribution of phonons to the entropy of alloys at 300 K is crucial.
Highlights
There has been a sharp increase in interest in studying the dynamics of disordered systems, the simplest example of which is binary substitution alloys
The following notation is introduced: Мχ – is the mass of an ion of the χ type (χ = 1, 2); δRi – the displacement vector of the ion located at the site Ri from the equilibrium position R0i; Vχχ’(q) – is the Fourier transform of the effective pair interaction of ions of grades χ, χ’
It was of interest to clarify the relative contribution of atomic vibrations to the thermodynamic properties of alloys
Summary
There has been a sharp increase in interest in studying the dynamics of disordered systems, the simplest example of which is binary substitution alloys. One of them is associated with the use of various modifications of the theory of a self-consistent field, and the second – with numerical methods. The coherent potential method does not take into account the effects of fluctuations in the local environment in the vicinity of the substitution atoms of the matrix crystal. The lattice dynamics of disordered alloys is studied by the method of collective variables. In this case, within the framework of a unified approach, it is possible to consistently take into account the effects of correlations and ordering
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