Predict and optimize properties of materials using models stored within Thermo-Calc.
Beginning with the 2015b release, Thermo-Calc now includes a Property Model Calculator stored conveniently in the main console of the software. The Property Model Calculator allows users to predict and optimize properties of materials using models stored within the software.
There are currently five general models available to everyone who has upgraded to Thermo-Calc 2015b or newer and a sixth model available to users who have Thermo-Calc 2017a or newer:
Coarsening model - calculates the coarsening rate coefficient K (m3/s) of a spherical precipitate phase in a matrix phase.
Phase transitional model - calculates the point when a new phase may form by varying set conditions. The model is useful to determine melting temperature, boiling temperature or solubility limits. It returns the phase transformation temperature, or composition, depending on the varied condition.
Driving force model - calculates the thermodynamic driving force for a phase.
Interfacial energy model - estimates the interfacial energy between a matrix phase and a precipitate phase using thermodynamic data from a CALPHAD database.
Equilibrium model - calculates the equilibrium for the given conditions. Optionally define additional Function Definitions.
Liquidus and solidus model - available in Thermo-Calc 2017a and newer, this model offers a fast and easy way to complete this common calculation. For example, with this model one can easily use uncertainty calculations, varying one or more conditions, and see how that affects the liquidus and solidus temperatures.
Users can evaluate models simultaneously over a range of compositions and cross plot the results, then conduct an uncertainty analysis and plot the results as either a histogram (as shown below) or as a probability plot.
The Property Model Calculator includes five calculation types:
Single - calculates a single point
One axis - varies a quantity on the X-axis
Grid - evaluates two axis variables of the selected quantities in the specified range and number of steps.
Min/Max - evaluates the propertymodel(s) for all variations of the selected quantities at the given limits. The Mean field is as defined under Condition Definitions for the respective quantity. The total minimum and maximum of the model(s) results are shown in the Event log.
Uncertainty calculation - evaluates the propertymodel(s) where the values of the quantities are sampled from Gaussian distributions. The Mean field is as defined under Condition Definitions for the respective quantity. The result is visualized as a histogram or normal probability plot by adding a Plot Render activity.
See the Property Model Calculator in Action
Property Model Development Framework
In Thermo-Calc 2017a, the Property Model Calculator was upgraded so that users can now develop your own models using the easy-to-learn programing language Python. Learn more about the Property Model Development Framework.