Property Model Calculator

A Property Model Calculator enables you to predict and optimize material properties based on their chemical composition and temperature. The available calculation types are Single, One Axis, Grid, Min/Max, Uncertainty, and Batch.

Using these, you can evaluate models simultaneously over a range of compositions and temperature and cross plot the results, then conduct an uncertainty analysis and plot the results as either a histogram or a probability plot. The Batch calculation further enables you to read input from a file, such as a spreadsheet.

There are General Models plus material specific Model Libraries for Nickel Models, Noble Metal Alloys Models, Steel Models, and Titanium Models available. For more information start with the section About the Property Models.

Property Model Calculator Workflow

At the start when you are designing a project, it is recommended you first test it by performing a Single calculation type. This verifies that the configuration of the model is valid, otherwise you will get a Not a Number result in the Event Log Window, which indicates the calculation did not work correctly.

Once the Single calculation performs successfully, you can experiment with other calculation types such as Grid, Min/Max, Uncertainty, or Batch. Best practice for both Grid and Uncertainty is to start with a small number of steps (Grid) or samples (Uncertainty) to confirm that it works before increasing the number of steps or samples. For Batch calculations, it is good practice to first review the data file requirements described in Working with Batch Calculations.

For a Grid calculation, you can additionally plot a Heat map, Contour, or 3D diagram. This setting is done on the Plot Renderer, which has several Plot Types, Plotting Options, and Plot Types available.

In general, the workflow for each model differs. A recommended start point is to do a One Axis calculation (using the Equilibrium Calculator) to determine what phases you get and where the transitions are before setting up the Property Model Calculator.

There are a variety of related templates both for the equilibrium One Axis calculations and to add a Property Model node structure.

In addition there are Steel TTT and Steel CCT templates that you can use to quickly set up a simulation for the Steel Model Library. For details, see Getting Started Links and Templates.

Each Property Model has its own set of configuration parameters. There are some standard ones entered starting with the Property Model Calculator: Configuration Window Settings topic.

You can also create custom Property Models. Search the TC-Python help on the website for details about creating custom models. In general go to the Property Model Framework → Best Practices section.