MTDATA is a software which predicts the phases forming at equilibrium in systems containing many components and many phases. It is based upon critically assessed thermodynamic data for simpler sub-systems, and use a very robust algorithm (STAGE_1).
This introduction is based on examples and applications typical of what is done in our phase-transformation group.
It is relatively easy to start with MTDATA, but many possibilities are difficult to discover, here are those I think about now:
- Calculate a simple equilibrium given the composition and the temperature. It is also possible to set paraequilibrium conditions.
- Vary a single variable between two values (temperature, w% of a component,...) and plot whichever other variable of interest as a function of the stepped one, this could be:
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- number of moles (kg, ...) of one or all phases.
- gibbs free energy of the different phases or all the system.
- distribution of the component within the phases, etc.
- Draw ternary diagrams, pseudo-ternary (ternary section in a multicomponent system), pseudo binary (isopleth), save all these as post-script or EPS files, or save them as metafile and modify them so as to get them the way you want (larger fonts, remove useless coments, etc...).
- Write macros to simplify repetitive tasks.
- Call directly MTDATA from a fortran program.
Here are some interesting references:
- Thermodynamics, H. K. D. H. Bhadeshia
- MTDATA handbook, in 309.
- The SGTE casebook, K.Hack ed., The institute of Materials.
- CALPHAD Calculation of Phase Diagrams, A Comprehensive Guide, R. W. Cahn ed., Pergamon (Elsevier Ltd).
- Phase Equilibria, Phase Diagrams and Phase Transformations, Their Thermodynamics Basis, M. Hillert, Cambridge University Press.