DOI: https://doi.org/10.30970/jps.01.544
FREE ENERGY OF A DISORDERED ALLOY. CALCULATION OF CONTRIBUTION CAUSED BY ATOMIC THERMAL VIBRATIONS
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Journal of Physical Studies 1(4), 544–550 (1997)
DOI: https://doi.org/10.30970/jps.01.544 FREE ENERGY OF A DISORDERED ALLOY. CALCULATION OF CONTRIBUTION CAUSED BY ATOMIC THERMAL VIBRATIONS |
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Z. Gurskii, A. Myhal
Institute for Condensed Matter Physics of the Ukrainian Acad. Sci.
1 Svientsitskii Str., Lviv, UA–290011, Ukraine
A new approach to the problem of the free energy calculation for a binary disordered alloy has been developed. The explicit account of the atomic thermal vibrations is a feature of the approach proposed. A way that allows to perform averaging over configurational and vibrational degrees of freedom exactly has been advanced. The alloy partition fanction is calculated within the Gaussian approximation of the collective variables method. The free energy is shown to contain the terms caused by relations between the configurational and vibrational degrees of freedom. To put it in another way the configuration and vibration effects could not be treated separately in the alloy thermodynamics.