Thermo-Calc 2023a Available Now

Thermo-Calc 2023a is released December 2022 and includes the introduction of dark mode for the Graphical User Interface, improvements to the Scheil Calculator, full gas descriptions in major databases, and eight new and updated databases. This release also introduces an Additive Manufacturing Module, which is being released in closed beta, but is visible to all users so you can view the coming features. 

 

Webinar on Thermo-Calc 2023a Release

Join our release webinar to learn about the exciting new features and new databases included in Thermo-Calc 2023a. In this webinar, four of the developers who worked on the release will speak directly about these exciting new developments.

Introducing Dark Mode

We are excited to announce that Dark Mode is now available for the Graphical User Interface of Thermo-Calc. This much requested feature is available as a new Look and feel called FlatLaf Dark. Many users have expressed a desire for this feature as they find it is easier on their eyes and offers better visibility. Users can change to the new dark mode from the Tools > Options menu. From the General tab, select FlatLaf Dark.

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Dark Mode is now available for the Graphical User Interface of Thermo-Calc.

Full Gas Descriptions in Major Databases

Full gas descriptions have been added to two databases in the 2023a release: 

Over the past several years, we have been working to add full gas descriptions to all of our major databases, as listed below. This allows users to do several simulations without needing to append the gas description from other databases, such as SSUB, preventing complications and incompatibility issues. This was also done to prepare the databases for the coming Additive Manufacturing Module. 

Additional major databases that already had full gas descriptions prior to the 2023a release: 

Scheil Calculator Receives Several Improvements

The 2023a release includes several improvements to the Scheil Calculator. These were made in preparation for the coming Additive Manufacturing Module, but they also have applications to users working with multiphysics solidification simulations in general, where as-cast material properties are needed in the temperature range from room temperature up to evaporation temperature. 

New Evaluation Method for Many Scheil Properties

The way properties are evaluated in the Scheil Calculator has been improved for several properties in the 2023a release. The new evaluation method uses an “average” or “frozen-in” profile that considers all previous calculation steps for each step of the simulation. 

In previous versions, the solid properties at each step in a Scheil calculation only evaluated the part that was solidified at that step. The portion of the material that had already been solidified was not considered. This method works well for thermodynamic calculations and some properties calculations. However, several of the new properties that have been added to the software in recent years require this new method. Therefore, the method has been updated for those properties. 

Properties using the new method are:

  • Thermal conductivity, resistivity, and diffusivity
  • Electrical conductivity and resistivity
  • Heat per mole/gram
  • Apparent heat capacity per mole/gram
  • Latent heat per mole/gram
  • Density
  • Molar volume
  • Apparent volumetric thermal expansion coefficient

 

Calculate Temperatures Below Solidus

The Scheil Calculator now allows users to calculate solid state properties at temperatures below the solidus temperature, down to room temperature. This new feature is only available for the properties that use the new freeze-in evaluation method listed above.

Calculate Evaporation Properties Above Liquidus

Three new evaporation properties have also been added to the Scheil Calculator, which allow users to calculate evaporation above liquidus: molar mass of gas, driving force for evaporation, and evaporation enthalpy.

Additive Manufacturing Module Released in Closed Beta

An Additive Manufacturing Module is being released in closed beta for the 2023a release.

The module is primarily designed for modeling the powder bed fusion process in Additive Manufacturing. Special focus has been given to having a unified treatment of alloy dependent physical properties and process parameters. 

The module solves the multiphysics problem of a moving heat source that melts and solidifies metal powder. The multiphysics simulation involves thermal conduction, fluid flow, evaporation-, radiation- and convective- heat loss.

Overview of a calculation setup in the Additive Manufacturing Module.

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The template for the Additive Manufacturing Module on the home screen of Thermo-Calc.

All users of Thermo-Calc 2023a can access the new module from the homescreen of Thermo-Calc. Users can configure calculations and look through the module to learn about its functionality, but calculations cannot be performed. 

The new Additive Manufacturing Module will be available for purchase as an Add-on Module in Thermo-Calc in the summer of 2023. 

TC-PRISMA: Handles Smooth Transition from Para-equilibrium to Local Equilibrium

A new model has been added to the Precipitation Module (TC-PRISMA), the Para-equilibrium (PE) Automatic Growth Rate Model, or PE Automatic for short.

Tempering of martensite in steels induces the precipitation of cementite particles. The growth kinetics initially follows the Para-Equilibrium (PE) condition due to the fast diffusion of interstitial C. Gradually it transforms to the regular Local Equilibrium (LE) condition so that substitutional elements can reach equilibrium partitioning at the migrating interface. 

The PE Automatic model enables the smooth transition from Paraequilibrium growth rate model to Simplified growth rate model. The rate of transition process is dependent on the relative differences in diffusion between C and substitutional elements, as well as the differences in driving force between paraequilibrium and ortho-equilibrium.

A new example is available demonstrating this new feature: P_15_Precipitation_Fe-C-Mn_PE-OE_Precipitation_of_Cementite

A video is also available demonstrating the new example. 

Improvements to CCT and TTT Diagrams in Steel Model Library

Select Type of Carbide in Pearlite and Bainite

The CCT and TTT Diagram Property Models in the Steel Model Library now allow users to choose which type of carbide will be present in pearlite and bainite, respectively. Users can now choose between cementite, M7C3, and M23C6 to be the carbide in pearlite, and cementite or M7C3 to be the carbide in bainite. The software automatically detects the most-probable type of carbide and offers that as a default. 

Previously, only cementite was considered in pearlite and bainite and the models could not be used when another type of carbide formed as a constituent of pearlite or bainite. 

These new selections are particularly useful for steels with higher Cr contents.

carbide-custom-setting-cct-ttt

Users can now choose which type of carbide will be present in pearlite and bainite in the CCT and TTT Diagram Property Models in the Steel Model Library. This is particularly useful for steels with higher Cr contents.

Nine New Result Quantities

Nine new result quantities are added to the CCT and TTT Diagram Property Models in the Steel Model Library: 

  • Austenite transformed 10%, Austenite transformed 90%, and Total ferrite+cementite finish (98%). For CCT these are both defined in time (t) and temperature (T), and for TTT as time (t) quantity only.
  • Terminal fraction of ferrite, Terminal fraction of pearlite, Terminal fraction of bainite, Terminal fraction of martensite, Terminal fraction of total ferrite, and Terminal fraction of total ferrite+cementite. Terminal fractions are unit-free quantities.

Two examples have been updated to demonstrate these new result quantities:  

  • PM_Fe_06_Fe-C-Mn-Si-Cr-V_TTT 
  • PM_Fe_08_Fe-C-Mn-Si-Cr-V_CCT

Eight New and Updated Databases

The 2023a release includes four new and four updated databases including our first ever mobility database for Zirconium-based Alloys.

New Databases

MOBZR1: Zr-alloys Mobility Database

The Zirconium-based Alloys Mobility Database (MOBZR1) is a completely new mobilities database intended to be used in combination with our Zirconium-based Alloys Thermodynamic and Properties Database, TCZR1. The database is designed for simulation of diffusion controlled phenomena using the add-on Diffusion Module (DICTRA) and/or Precipitation Module (TC-PRISMA). It can also be used  together with any Thermo‑Calc programming interface such as TC-Python. MOBZR1 includes:

  • 8 elements: Cr, Fe, Nb, Ni, Sn, O, H, Zr (the same as TCZR1)
  • 3 phases: BCC_A2, HCP_A3 and LIQUID
  • Assessed systems (BCC_A2 and HCP_A3): The unary systems and some of the binaries (Cr-Fe, Cr-Ni, Cr-H, Fe-H, Fe-Ni, Fe-O, Nb-H) already exist in the other mobility databases. The mobility parameters were tested for compatibility and combined with the assessments. Mobility parameters for the Zr-Cr, Zr-Fe, Zr-H, Zr-Nb, Zr-Ni, Zr-O, and Zr-Sn systems have been assessed.

TCOX12: Metal Oxide Solutions Database

New elements and related binary, ternary, and higher order systems:

  • Adds three new elements: B, Hf, and Yb
  • Adds B: Assessed or added from literature 20 binary, 21 ternary, and 10 higher order systems
  • Adds Hf: Assessed or added from literature 24 binary, 11 ternary, and 8 higher order systems
  • Adds Yb: Assessed or added from literature 24 binary, 10 ternary, and 8 higher order systems

Molar volume, viscosity and surface tension are assessed for the new additions.

Other changes:

  • Extends the GARNET phase description
  • Includes complete gas description
  • Many new systems are assessed and many existing systems are reassessed

TCTI5: Ti/TiAl-based Alloys Database

The Ti/TiAl-based Alloys Database is the successful conclusion of the ADVANCE Project, an ambitious experimental program consisting of four partners from three countries and spanning over almost 4 years.

  • Updates to ternary systems: Ti-Al-X (X=B, C, Cr, Mo, Nb, O, Si, Sn, W, Zr)
  • Adds newly assessed ternary: Ti-Si-Zr
  • Adds full gas descriptions
  • A change to default settings was made so that the GAS phase is restored by default when retrieving the data from the database. It now must be manually rejected when it is not required for a calculation.

Volume parameters are updated for:

  • Liquid in Ti-V and Ti-Al-V
  • AlTi3_D019 in Ti-Al-O
  • BCC_A2 in Ti-H
  • HCP_A3 in Ti-O and Ti-N

MOBHEA3: High Entropy Alloys Mobility Database

  • Atomic mobility parameters for all BCC_A2 binary systems have been assessed or estimated and then updated
  • Validated in the Zr-Nb-Ta-Ti, Zr-Nb-Hf-Ti and Al-Fe-Cr-Mn-V systems

Updated Databases

TCHEA6.1: High Entropy Alloys Database

The high entropy alloys database was updated to version TCHEA6.1. Users who have a license for TCHEA6 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Reassessed two binary systems: Cr-Mn, Ir-Nb.
  • Reassessed seventeen ternary systems: Al-Cr-V, Co-Cr-Fe, Co-Cr-Mn, Co-Cr-Ni, Co-Fe-Mn, Co-Fe-Ni, Co-Mn-Ni, Cr-Fe-Mn, Cr-Mn-Ni, Cr-Mo-Nb, Cr-Mo-Ti, Cr-Nb-V, Fe-Mn-Ni, Fe-Ni-W, Mo-Nb-V, Re-Nb-V, and Re-V-W
  • Validated the Co-Cr-Fe-Mn-Ni quaternary system in full temperature and composition space (7 isopleths)

TCAL8.2: Aluminum-based Alloys Database

The aluminum-based alloys database was updated to version TCAL8.2. Users who have a license for TCAL8 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Corrected an error in the molar volume of the B2 phase in the Al-Fe-Ni system

TCCU5.1: Cu-based Alloys Database

The copper-based alloys database was updated to version TCCU5.1. Users who have a license for TCCU5 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Corrected an error in the molar volume of the B2 phase in the Al-Fe-Ni system
  • Included complete gas description

MOBTI4.1: Ti/TiAl-based Alloys Mobility Database

The titanium and TiAl-based alloys mobility database was updated to version MOBTI4.1. Users who have a license for MOBTI4 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Modified the impurity diffusivity parameter of nitrogen in HCP_A3 titanium

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