 ThermoCalc 
Definition:  Software for
thermodynamic and
phase diagram
calculations 
Explanation:  ThermoCalc is a
software for
thermodynamic
calculations in
multicomponent
systems. It is the
most widely used
software for this
purpose in the
materials industry.
It is also used in
the academia and
scientific
laboratories. On the
basis
of thermodynamic
models, It
allows the
calculation of
stable and
metastable
equilibria
including the
calculation the
amount of the phases
and their
corresponding
chemical
compositions as a
function of
intensive
thermodynamic
variables, e.g.
pressure and
temperature.
In addition to the
phase
diagrams,
thermochemical data
(enthalpy, heat
capacity,
chemical activity)
can also
be calculated in
the system of
interest. Phase
transformation
temperatures and
driving force for
these
transformations can
also be
calculated. 
Picture / Figure / Diagram: 

Isopleth of system FeMnCAl for 0.3%C and 15% Mn.


SFBLink:  Thermodynamic models developed in A3 (eventually in collaboration A2, that supplies ab initio data) can be utilized for ThermoCalc calculations. These models are also used in A8 (phase field modeling) and to investigate experimental aspects obtained in projects B1.ThermoCalc can also be used for calculations of solidification with the ScheilGulliver Model and for the calculation of Pourbaix diagrams for electrochemical reactions. 
References:  Mats Hillert, Phase Equilibria, Phase Diagrams and Phase transformations, 2008, Cambridge University Press. http://www.thermocalc.com/productsservices/software/thermocalc/ 

