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CALPHAD stands for Computer Coupling of Phase Diagrams and Thermochemistry, a methodology introduced in 1970 by Larry Kaufman, originally known as CALculation of PHAse Diagrams. [1] [2] [3] An equilibrium phase diagram is usually a diagram with axes for temperature and composition of a chemical system. It shows the regions where substances or ...
Computational thermodynamics may be considered a part of materials informatics and is a cornerstone of the concepts behind the materials genome project. While crystallographic databases are used mainly as a reference source, thermodynamic databases represent one of the earliest examples of informatics, as these databases were integrated into thermochemical computations to map phase stability ...
The Calculation of PHase Diagram (CALPHAD) method does not generally speaking constitute a simulation, but the models and optimizations instead result in phase diagrams to predict phase stability, extremely useful in materials design and materials process optimization.
It may provide or confirm basic enthalpy data needed for the calculation of phase diagrams of metals, via CALPHAD or ab initio quantum chemistry methods. For a binary system composed by elements A and B, a generic Miedema Formula could be cast as Δ H = f ( E l e m e n t A , P h i A , n W S A , V A , E l e m e n t B .
A generic phase diagram with unspecified axes; the invariant point is marked in red, metastable extensions labeled in blue, relevant reactions noted on stable ends of univariant lines. This rule is geometrically sound in the construction of phase diagrams since for every metastable reaction, there must be a phase that is relatively stable. This ...
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The phase diagram shows, in pressure–temperature space, the lines of equilibrium or phase boundaries between the three phases of solid, liquid, and gas. The curves on the phase diagram show the points where the free energy (and other derived properties) becomes non-analytic: their derivatives with respect to the coordinates (temperature and ...
Bill Belichick has spent a lot of time talking into a microphone about football this season, but he has his sights set higher for next year. According to The Athletic, Belichick wants to return to ...