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Included Calculator

Property Model Calculator

Predict and optimize properties of materials using models stored within the software, and optionally, your own models.

About the Property Model Calculator

The Property Model Calculator is a calculator within Thermo-Calc that offers predictive models for material properties based on their chemical composition and temperature. The Property Model Calculator is included with all Thermo-Calc installations, along with a general set of models for setting up some of the most common calculations, such as driving force, interfacial energy, liquidus and solidus temperature, and phase transition temperatures in general.

Users can buy additional material-specific packages of models or develop your own models using TC-Python, an SDK available for purchase with Thermo-Calc

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A screenshot of the Property Model Calculator showing the results of a Martensitic Steel Strength calculation. The plot shows the calculated hardness after tempering versus tempering temperature and time compared to data from Grange, R.A. and Baughman, R.W. (1956) Hardness of tempered martensite in carbon and low alloy steels, Transactions of American Society for Metals, Vol. XLVIII, pp.165–197.

A Quick and Easy Path to Calculate Properties

The Property Model Calculator offers users a quick and easy path to calculate any ordinary property available from a Thermo-Calc calculation, for example, amount of phase, phase constitution, transition temperature, or similar. Furthermore, the calculator allows users to calculate additional properties using models that take the ordinary properties as input, such as coarsening rate coefficients, martensite start temperature, and yield strength. In addition, users can write and implement your own models utilizing TC-Python, an SDK available for purchase with Thermo-Calc.

Support for Materials Design

The Property Model Calculator has been developed to facilitate the design of materials. Consequently, it is easy to study how different variables influence defined properties of interest (or design variables) and to cross-plot the result to identify optimums in, for example, composition. Additionally, the Property Model Calculator gives users the ability to perform uncertainty or sensitivity analyses, for instance, to study how variations in chemistry influence a specific property.

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Parallel coordinates plot showing the relationship between chemistry, yield strength, Ms temperature, and driving force for cementite to form in a low alloy steel. The Parallel coordinates plot is useful when interpreting multidimensional data and to compare how different parameters affect each other. This is especially useful in materials design after performing a batch or uncertainty set of evaluations when multiple inputs are varied at the same time and multiple model outputs are given as a result.

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Property Models

Property Models are the engine that drive the Property Model Calculator. They simplify the process of setting up the calculations. They expand the functionality available in Thermo-Calc and make the software easier to use. Models can be used on their own or several can be evaluated simultaneously over a range of compositions to cross plot their results.

Property Model Libraries

The models are grouped within libraries in the software, a library being a group of similar models. All Thermo-Calc installations come with a General Model Library, which includes over a dozen models to help users to quickly set up some of the more common calculations using the Property Model Calculator.

Users can also purchase libraries for specific materials or create custom models and develop your own libraries.

Included Model Library

Model Libraries Available for Purchase

Develop Your Own Models 

Users can develop their own models and seamlessly integrate them into Thermo-Calc using the TC-Python Property Model Framework, available in TC-Python, an SDK available for purchase with Thermo-Calc. In other words, you can customize the software to meet your modeling needs.

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Read an example of how users can develop and implement their own models using the TC-Python Property Model Framework in a recent blog post:

Read the blog post: Flexible Model Development with the TC-Python Property Model Framework

Models are developed using the easy-to-learn programming language Python™, and model development is assisted with advanced features such as debugging of the Property Models and autocompletion. 

Property Models developed in the TC-Python Property Model Framework automatically populate in Thermo-Calc, where they can be configured and run in the Graphical User Interface, giving users access to all of the powerful features and calculation types* available in Thermo-Calc.

Additionally, because this program uses the Python language, users can use any python library, such as numpy, scipy, or scikit-learn, within the Property Models, making model development quite powerful.

Models are automatically encrypted, for safe and secure file sharing. 

TC-Python requires a license in addition to a standard Thermo-Calc license. 

Property Model Framework in TC-Python

*Some calculation types, such as diffusion and precipitation simulations, require additional licenses for the relevant Add-on Modules

Calculation Types Included in the Property Model Calculator

The Property Model Calculator includes the following 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. Read an example of how Grid calculations can be used to visualize the tradeoffs of properties in alloy design
  • Min/Max - evaluates the property model(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 Property Model(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. Read an example on how uncertainty calculations can be used to evaluate the effect of composition variation on critical phase transformation
  • Batch Calculation - allows for high throughput calculations by allowing users to upload a spreadsheet or text file into the calculator. Results can be compared to experimental values, if included in the uploaded file, using cross plots (i.e parity plots) or statistical plots.
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Use Cases

Learn about some of the applications of the Property Model Calculator with this series of blog posts that take a deeper dive into the different calculation types included in the Property Model Calculator and how they can be applied to materials design, process optimization, and ICME frameworks.

  • The Systems Design Approach to Materials
  • Using Cross Plots to Visualize the Tradeoff of Properties in Alloy Design
  • How to Use Sensitivity Calculations to Evaluate the Effect of Composition Variation on Critical Phase Transformation Temperatures
  • Supplementing Finite Element Modelling with Calculated Thermophysical Properties
  • Powerful Model Development with the TC-Python Property Model Framework

Availability

The Property Model Calculator is included for free with all Thermo-Calc installations. It comes with one set of general models. Additional, material-specific models can be purchased, and users who have a license for TC-Python can develop their own models using the TC-Python Property Model Framework. If you do not already have a license for Thermo-Calc or you are interested in expanding your license, please contact us to discuss which license is right for you.

 

Learn More about the Property Model Calculator

Calphad-assisted design of high strength – ductility martensitic stainless-steels with reverted austenite

A collection of videos demonstrating the capabilities of the Property Model Calculator.

Titanium Alloy Design for Additive Manufacturing

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