The Third Law of Thermodynamics: Phase equilibria and phase diagrams at low temperatures

Great progress has been made over the recent decades in the application of computational thermodynamics (Calphad) and theoretical methodologies (CVM) including so-called first principles approaches to modeling thermodynamic properties and the calculation of phase diagrams of materials. The aim of th...

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Bibliographic Details
Published in:Acta materialia 2018-02, Vol.145, p.49-61
Main Authors: Laughlin, David E., Soffa, William A.
Format: Article
Language:English
Subjects:
Low temperature phase equilibria
Nernst-Planck-Simon statement
Phase equilibria
Third Law of Thermodynamics
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Summary:Great progress has been made over the recent decades in the application of computational thermodynamics (Calphad) and theoretical methodologies (CVM) including so-called first principles approaches to modeling thermodynamic properties and the calculation of phase diagrams of materials. The aim of this paper is to call attention to considerations of the THIRD LAW OF THERMODYNAMICS when evaluating these results when applied to low temperature phase equilibria. In this effort we call attention to the essential content of the modern version of this third principle of thermodynamics using an historical and pedagogical approach. An appreciation of the constraints of the THIRD LAW is shown to be valuable in projecting possible low temperature phase fields and boundaries and predicting thermodynamically consistent phase diagram configurations as T→0 K. The ideas of Simon regarding aspects or subsystems are shown to be of paramount importance in assessing the thermodynamic properties of materials at low temperatures.
ISSN:1359-6454
1873-2453
DOI:10.1016/j.actamat.2017.11.037