Thermo-Calc 2018a Release News

Thermo-Calc 2018b was released in June 2018 and includes the addition of three key features to the TC-Python API and two new thermodynamic databases for metal oxide solutions and Mg-based alloys.

Thermo-Calc 2018a was released in March 2018 and includes an entirely new API, new databases for aluminium and high entropy alloys, major updates to the Precipitation module (TC-PRISMA).

Thermo-Calc 2018b

Thermo-Calc 2018b is released in June 2018 and includes the addition of three key features to the TC-Python API and two new thermodynamic databases for metal oxide solutions and Mg-based alloys.

Highlights 

Read the Thermo-Calc 2018b Release Notes.

New Features Added to the TC-Python API

TC-Python is a PythonTM-based SDK that enables users to openly couple Thermo-Calc calculations with other software. The SDK is built in the popular Python™ language to give Thermo-Calc users access to many other programs, such as numerical packages like NumPy and SciPy, which can be used in combination with our calculations. It is truly a tool for Integrated Computational Materials Engineering (ICME). Thermo-Calc 2018b adds three important features to the TC-Python API: Scheil calculations, phase diagrams and property diagrams.

  • Scheil calculations: You can now simulate Scheil-Gulliver solidification and estimate the solidification range of an alloy. All the configuration options of the Scheil Calculator (in Graphical Mode) and most commands with the Scheil module (Console Mode) are available to use.
  • Phase diagrams: Phase (map) diagrams have two or more independent axis variables. Everything you can configure in the Equilibrium Calculator when choosing Phase diagram (in Graphical Mode) as well as the equivalent Map commands (in Console Mode) are available.
  • Property diagrams: With property (step) diagrams, there is only one independent state variable and many properties can be plotted as a function of this independent variable. Similar to phase diagrams, everything you can configure in the Equilibrium Calculator when choosing Property diagram (in Graphical Mode), plus the related Step commands (in Console Mode), are available.

Several new examples for each feature are included. You can use these to both learn about the use of TC-Python and as a way to build your own calculation simulations. Additional functionality, such as diffusion calculations, will continue to be added in future releases.

We are offering a free trial license of TC-Python to all users with a valid Maintenance & Support Subscription (M&SS) until the end of 2018.

All users with a current Maintenance and Support Subscription, e.g. those who have Thermo-Calc 2018a and newer, are being offered a free trial license of TC-Python until the end of 2018 so you can test the program and discover how you can integrate it into your overall workflow. To request your free trial license, and to learn more about the benefits of using TC-Python, visit the TC-Python page on our website.

New Metal Oxide Solutions Thermodynamic Database (TCOX8)

A new version of the TCS Metal Oxide Solutions Database (TCOX8) includes the addition of six new elements: Co, Mo, P,  V, W, +Ar (only in gas) making it available in a 24-element framework. The addition of the new elements increases the number of assessed systems to 241 binary, 218 ternary, and 104 quaternary systems.

 

New Magnesium-based Alloys Thermodynamic Database (TCMG5)

The new version of the TCS Mg-based Alloys Database (TCMG5) has seven additional elements (Dy, Er, Ga, Ho, In, Sb and Sm). In this 31-element framework there are now 195 binary and 91 ternary systems, which includes 92% Mg-containing and 41% RE-containing systems.

 

Updated Aluminium-based Alloy Thermodynamic Database (TCAL5)

The updates to the TCS Al-based Alloy Database (TCAL5) includes an improved description of Al7Cu2Fe, an improved volume description, and Al6(Cu, Fe, Mn) remodelled in Al-Cu-Fe-Mn.

 

Improvements and Bug Fixes

For Thermo-Calc and the add-on Diffusion module (DICTRA) and Precipitation module (TC-PRISMA), a variety of bug fixes and improvements were done, including to the Quick Start Wizard and an improved interfacial energy function. For details read the Thermo-Calc 2018b Release Notes 

 


 2018a Release

Thermo-Calc 2018a was released in March 2018 and includes an entirely new API, new databases for aluminium and high entropy alloys, major updates to the Precipitation module (TC-PRISMA). 

 Highlights of the Thermo-Calc 2018a release: 

Read the Thermo-Calc 2018a Release Notes.


New Python API

Thermo-Calc 2018a includes a new PythonTM API called TC-Python. This new API allows users to couple Thermo-Calc calculations with other software in an open way, making it an integral part of the ICME framework.

The API was built in PythonTM because it is a popular language which gives users access to many other programs, such as numerical packages like NumPy and SciPy, which can now be used in combination with our calculations.

In this release, TC-Python focuses on equilibrium calculations and the Precipitation module (TC-PRISMA), making it the first Thermo-Calc API that allows users to make precipitation calculations. Users who do not have a Precipitation module (TC-PRISMA) license can still make calculations with up to three elements using the DEMO license for the Precipitation module included in your software.

We will continue to expand TC-Python and plan to offer step, map and Scheil calculations, as well as Diffusion calculations in the coming releases.

We are offering a free trial license of TC-Python to all users with a valid Maintenance & Support Subscription (M&SS) until the end of 2018.

All users with a current Maintenance and Support Subscription, e.g. those who have Thermo-Calc 2018a, are being offered a free trial license of TC-Python until the end of 2018 so you can test the program and discover how you can integrate it into your overall workflow. To request your free trial license, visit the TC-Python page on our website.

Features of TC-Python: 

  • Supports intelligent code completion (such as Microsoft's Intellisense®) available in some integrated development environments (IDEs)) 
  • Takes an object-oriented approach which makes it easier to reuse information (classes/methods) and more quickly run your calculations when you need to change the compositions
  • Includes several examples to help you learn about using the Python scripts and which can be used as the basis for your own projects
  • Built in Python to give users access to many other programs, such as numerical packages like NumPy and SciPy
  • All of the precipitation calculations currently available in the Precipitation module can be run in this new API
  • Users who do not have a Precipitation module license can make calculations with up to three elements

To learn more about TC-Python and request your free trial license, visit the TC-Python page on our website.

Two New High Entropy Alloys Databases

The 2018a release includes new thermodynamic and kinetic databases for high entropy alloys.

TCHEA3: Six new elements have been added to the thermodynamic high entropy alloys database, bringing it to a 26 element framework (Al, B, C, Co, Cr, Cu, Fe, Hf, Ir, Mn, Mo, N, Nb, Ni, Re, Rh, Ru, Si, Sn, Ta, Ti, V, W, YZn and Zr). This new database also includes more than 100 new binary systems and more than 150 new phases. 

MOBHEA1: This is the first kinetic database for high-entropy alloys (HEA) from Thermo-Calc Software. The database is suitable for simulation of diffusion controlled phenomena using the add-on Diffusion Module (DICTRA) and/or the Precipitation Module (TC-PRISMA) and is intended for use with TCHEA3. It can also be used together with all Thermo-Calc programming interfaces. The database consists of 22 elements and 5 phases. 

New Aluminium Mobility Database

MOBAL4: This new version of our aluminium mobility database adds the element erbium (Er), bringing it to a 35 element framework. The database includes an improved description of liquid and has many new and updated binaries. It also now includes ternary and quaternary descriptions. The database comprises 3 phases, 37 binary systems, 20 ternary systems and 2 quaternary systems.

Improved Grid Creation for Equilibrium Calculations

This release offers improved convergence for phases with charged species. This improvement makes it easier to do equilibrium step and map calculations for oxides.

Updates to the Precipitation module (TC-PRISMA)
There are two major updates to the Precipitation module (TC-PRISMA) in the 2018a release, as well as several smaller improvements.

  • You can now enter interfacial energy as a function of temperature and particle size. This new feature is demonstrated in graphical mode example P_11.
  • It is now possible to enter an initial size distribution for each precipitate in a precipitation calculation. Users must enter volume fraction and composition of the precipitate. The program offers help in generating the size distribution by choosing from the Distribution dropdown menu or you can import them from a file. This new feature is demonstrated in graphical mode example P_10.

Updates to the Diffusion module (DICTRA)
The Diffusion module has two new features, one in the Console Mode and one in the Graphical Mode.

  • In the Console Mode a new feature for automatic grid point distribution has been implemented. The use of the option AUTO (instead of LINEAR or GEOMETRIC) in the ENTER_GRID command, generates an appropriate grid at the start of the simulation. The grid points are automatically distributed based on the entered composition profiles and boundary conditions, in combination with the kinetics of the system.
  • In the Graphical Mode version of the Diffusion module, you can now pause the program during a calculation, just as you can in the Console Mode. This allows you to visualise the results at various times in the calculation as well as add time at the end of a calculation if you decide more time is needed. Learn more about this new feature in the online help by searching for Pause, Resume and Cancel Diffusion Calculations.

Improvements to Usibility
Thermo-Calc 2018a provides several improvements to usability, including:

  • Expanded Help menu with external links to video tutorials, our support page and the Thermo-Calc home page
  • New keyboard shortcuts for all operating systems
  • Drag and drop more file types into console mode
  • The SET_LOG_FILE command is improved in Console mode

Read the Thermo-Calc 2018a Release Notes