Thermo-Calc 2021b Available Now

Thermo-Calc 2021b is released June 2021 and includes a new Batch calculation type for high throughput calculations, an easy way to export data from all plots, seven new databases, a new Scheil model, and more.

Highlights of Thermo-Calc 2021b

Batch Calculation Type for High Throughput Calculations

A Batch calculation type has been added to the Property Model Calculator that allows for high throughput calculations. This new calculation type allows users to upload a CSV file or spreadsheet into the Property Model Calculator, allowing the calculator to read in significant amounts of input data. Results from batch calculations can then be compared to experimental values, if they are included in your file.

The Batch calculation type uses information from uploaded data to configure your calculation and offers validations to help ensure that files are formatted correctly. Additionally, users can set timeouts for each row in order to prevent the program from hanging on incorrectly formatted rows.  

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A new calculation type in the Property Model Calculator, Batch Calculations, allows users to import data from a spreadsheet or CSV file. The table above shows data in Thermo-Calc that was read in from a CSV file.

Two new plot types were added to Thermo-Calc to allow users to compare calculated results to experimental values, if they are included in your file: Cross Plot Mode, which plots the results and experimental values, and Statistical Mode, which plots frequency and normal probability. 

One new example, PM_G_12 – Solidus and Liquidus Batch Calculation, is available  demonstrating the new Batch Calculation type.

A companion video walks you step-by-step through setting up the example and discusses the new Batch calculator. 

Scheil with Solute Trapping for High Solidification Speeds

A new model has been added to the Scheil solidification calculator to improve calculations that have a high solidification speed, the Solute Trapping model. This new model is particularly useful for applications to additive manufacturing.

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A Scheil Solidification Simulation for an Al-Si-Mg alloy using the Solute Trapping Model compared to a Classic Scheil Solidification Simulation and equilibrium. As the plot shows, the solute trapping model is closer to equilibrium as the solidification progresses.

The model is based on the main assumption that the primary phase is the only dendrite forming phase within which solute trapping is induced by high solidification speed. The resulting solute trapping also affects composition and amount of other solid phases.

The new model is available in Graphical Mode, Console Mode, TC-Python, and TC-Toolbox for MATLAB®.

A new example is included for each of these modes demonstrating this new model: 

  • Graphical Mode: T_13_Scheil_with_Solute_Trapping.tcu (Thermo-Calc folder)
  • Console Mode: tcex57.TCM
  • TC-Python: pyex_T_16_Scheil_Solute_Trapping_Al_Si_Cu.py
  • TC-Toolbox for MATLAB®: matex_T_16_Scheil_solute_trapping_Al_Si_Cu.m

A presentation is available describing the model and the assumptions that are made.

Learn about all four of our Scheil solidification models

Export Data Directly from Plot Renderer

Beginning with Thermo-Calc 2021b, users can now convert plots to table data in the Graphical Mode with the push of a button. A new Table View button allows users to toggle between displaying results as a plot or a table. Users can then export the table to a file, for example a spreadsheet. This new feature provides an easier way to access results in the form of a table and ensures that all calculation types have a way to export data. 

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A new Table View button in the graphical mode of Thermo-Calc allows users to easily convert plot results into tabular data, giving users an easy way to view results in a table and ensuring that all calculation types have a way to export data. 

TC-Toolbox for MATLAB® Entirely Rewritten

TC-Toolbox for MATLAB® has been completely rebuilt for the 2021b release, offering significant upgrades, including nearly all calculation types available in Thermo-Calc Graphical Mode, such as single point equilibrium, property and phase diagrams, Scheil solidification simulations, and Property Models. 

The newly built API also integrates with the Diffusion Module (DICTRA), Precipitation Module (TC-PRISMA), and the Steel Model Library, allowing users who have licenses for those programs to perform even more calculation types.

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The newly rebuilt TC-Toolbox for MATLAB® includes nearly all calculation types available in Thermo-Calc Graphical Mode, is considerably more user-friendly than the legacy version, and comes with nearly 30 examples to help users get started in any of the modules you have a license for. 

The newly rebuilt TC-Toolbox for MATLAB® is also considerably more user friendly than the legacy version. For instance, it offers default values, prompts users to add missing information, and includes intelligent code completion and improved error messages. The program now also includes an integrated help system for improved support. 

The new TC-Toolbox for MATLAB® includes over 30 examples to help users get started in any of the modules you have a  license for. 

Users who have the legacy version of TC-Toolbox for MATLAB® are encouraged to convert their scripts as soon as possible, as we will discontinue support of the legacy version after the 2022b release.

Learn about the new TC-Toolbox for MATLAB®

CCT Diagrams Added to the Steel Model Library

A CCT diagram model, or continuous cooling transformation diagram, has been added to the Steel Model Library in the 2021b release. This model combines the Pearlite, Bainite, and Martensite Property Models and calculates the kinetics of concurrent transformation of austenite into pearlite, bainite, and martensite under continuous cooling conditions. 

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The CCT diagram for an Fe-C-Mn-Si-Cr-V alloy comparing calculated results with experimental data, made using the new CCT diagram model introduced in Thermo-Calc 2021b. The plot is included in the software as example PM_Fe_08_Fe-C_CCT. 

Users can now easily set up CCT diagrams in the Steel Model Library using a template that is accessed from the homescreen of the software. The new CCT Diagram Property Model makes it easy to configure the model and offers useful default values, and the CCT plotting mode is used to define the axes for the plot and automatically arrange the calculation results, which are time-temperature pairs.  

One new example is included in this release demonstrating this new model – PM_Fe_08_Fe-C_CCT. 

The TTT diagram calculation has also been improved for this release to calculate the concurrent transformation of austenite into pearlite, bainite, and martensite under isothermal conditions. In previous releases, pearlite, bainite, and martensite were calculated separately. The concurrent transformation is now handled in a new Property Model named TTT Diagram. 

Diffusion Module (DICTRA) GUI Updates

The Graphical Mode version of the Diffusion Module (DICTRA) receives two updates in the 2021b release. Caching has been added, meaning that calculations you have previously run in the Diffusion Module (DICTRA) during your current session will be read from disk rather than re-calculated, saving time if you re-run the calculation. Additionally, Mixed Zero Flux and Activity Boundary Conditions are now able to be used as a function in diffusion simulations. 

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Beginning with Thermo-Calc 2021b, Mixed Zero Flux and Activity Boundary Conditions can be used as functions in diffusion simulations.

Diffusion Improvements in TC-Python to Simulate Carburization Process

The 2021b release includes several improvements to diffusion simulations in TC-Python that allow users to calculate and optimize the carburization process. The program offers two ways to do this. First, users can simulate the entire carburization process in one step with the use of time-dependent boundary conditions. Alternatively, users can optimize the process using a new feature that allows for iterative simulations. In other words, users can run a section of the simulation, evaluate the results, then change the conditions and continue with the simulation. 

To learn more, read the Release Notes under TC-Python > Diffusion Module

Plot Improvements

Thermo-Calc 2021b includes several plot improvements, most notably, upgrades to 3D plotting:

  • 3D plots have been restored to Mac and Linux operating systems
  • Ternary plots are possible in 3D for all operating systems
  • 3D plots scale better on high resolution screens
  • Annotations can be deleted from contour plot lines
  • Line thickness can be set to zero, for instance, if there is a value you want to include in the calculation, but exclude from the plot
  • A variety of symbols are available that can be added to plot lines as markers

Eight New and Updated Database

The 2021b release includes seven new and one updated database, as described below.

TCNI11: Nickel-based Superalloys Database

  • Adds electrical resistivity
  • Adds thermal conductivity
  • Derived properties electrical conductivity, thermal resistivity, and thermal diffusivity are readily available
  • In most cases, we recommend the use of the Property Model Calculator with the Model Equilibrium with Freeze-in Temperature to correctly predict these new properties for an alloy

TCCU4: Copper-based Alloys Database

  • Adds viscosity of liquid
  • Adds surface tension of liquid
  • Adds additional thermodynamic descriptions

MOBCU4: Copper-based Mobility Database

  • Includes new mobility descriptions
  • Updated to correspond to the new TCCU4 thermodynamic and properties database

TCOX11: Metal Oxide Solutions Database

  • Adds potassium (K) and the related 24 binary, 13 ternary, and 14 higher-order systems
  • Adds surface tension of molten slags
  • Updated thermodynamic descriptions
  • Adds carbide and nitride phases
  • Assessed the following systems: Al2O3-CaO-MgO
  • Reassessed the following systems: Al2O3-CaO-MgO-SiO2
  • Reassessed Fe-solubility in MgSiO3 (ortho-pyroxene)
  • Updated all metallic systems to be the same as in the TCFE database

TCAL8: Aluminum-based Alloys Database

  • Improves the thermophysical property data and thermodynamic descriptions
  • Adds five new elements: Nd, Pr, S, Se, and Te
  • Eight new binaries assessed : Al-Nd, Al-Pr, Al-S, Al-Se, Al-Te, Bi-Mg, Mg-Sc, and Si-Y
  • Nine new ternaries assessed : Al-Bi-Mg, Al-Cu-Ti, Al-Mg-Sc, Al-Mg-Sn, Al-Mg-Zr, Al-Mn-Ti, Al-Si-Y, Bi-Mg-Sn, and Mg-Sc-Si
  • Two new quaternaries assessed : Al-Bi-Mg-Sn and Al-Mg-Sc-Si
  • Surface tension, viscosity, volume of liquid, electrical resistivity, and thermal conductivity of some previously unassessed systems and some of the new systems have been modelled

TCHEA5: High Entropy Alloys Database

  • Adds surface tension of liquid
  • Adds electrical resistivity
  • Adds thermal conductivity

TCSLD4: Solder Alloys Database

  • Adds surface tension of liquid
  • Adds viscosity of liquid

TCMG6.1: Magnesium-based Alloys Database

The magnesium-based alloys database was updated to version TCMG6.1. Users who have a license for TCMG6 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Improvements to thermal conductivity
  • Improvements to electrical resistivity
  • Improvements to viscosity of liquid

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