Thermo-Calc 2017a and 2017b Release News

Thermo-Calc 2017b was released in October 2017 and includes several new databases, major upgrades to the Diffusion and Precipitation modules and more.

Thermo-Calc 2017a was released in late March 2017 and includes many significant changes to the software.


Thermo-Calc 2017b

Thermo-Calc 2017b was released in October 2017 and includes several new databases, major upgrades to the Diffusion and Precipitation modules and more. 

 

Highlights of the 2017b Release:


Read the 2017b Release Notes

New and Updated Databases

TCTI1: This is the first ever CALPHAD thermodynamic database which covers both Titanium-based alloys and Titanium Aluminium-based materials in a single database. The database consists of 23 elements, 236 assessed binary systems and more than 70 assessed titanium containing ternary systems. The database can also be employed to design light alloys based on the Al3Ti and AlTi3 intermetallic phases.

MOBTI2: The second edition of the titanium mobility database is designed specifically to be compatible with TCTI1.

TCNOBL1: A new thermodynamic database for noble and precious metal alloys which consists of 21 elements. The database can be applied to jewellery, decoration industries and dental alloys, as well as delicate components for scientific equipment, such as thermocouples and calorimetry elements.

TCAL5: The aluminium alloys database was expanded to include erbium, bringing it to a 35 element framework. The database includes 258 assessed binary systems and 87 assessed ternary systems. This update highlights the assessment of many binary and ternary systems relevant to the 8xxx and 8xx.x series of industrial aluminium alloys, including but not limited to Al-Ce, Al-Er, Al-Li, Al-Sc and Al-Sn alloys.

TCHEA2: The new version of the high entropy alloys database has improved stability descriptions of the sigma phase.

SSUB6: The SGTE Sustances Database has received general updates.

 

New Features in the Diffusion Module (DICTRA)
The graphical mode version of DICTRA, known as the Diffusion module, includes several new features that extend the functionality and flexibility of the program and make it more user friendly.

  • It is now possible to set boundary conditions.
  • A Table Renderer has been added to the Diffusion module. 
  • A new advanced mode gives users more control over the plots and allows you to plot additional combinations, such as activity at a specific time. You can now also plot user-defined functions, giving you a lot of flexibility in the plotting.
  • All regions are now visible in the Configuration window. Small regions that would be too small to see are now represented with a dashed line, as shown in the image below.
  • A tool tip appears when you hover over a region which shows the name of the region, the width of the region and the number of grid points, as shown below.
  • Composition profiles are now visualised before you plot the results. A useful tool tip explains how each one works and how to set them, as shown below.
  • User defined functions (using Python) can be added in the new composition profiles feature, allowing you to see if there are any mistakes before you plot the results.
  • Three new examples are included to help users learn about the new features: D_05, D_06 and D_07. All Diffusion module examples can be found in the software in the Help Menu > Open Examples > Diffusion Module - DICTRA.
  • video for example D_07 showcases the new features.
 

New Features in the Precipitation module (TC-PRISMA)
The Precipitation module (TC-PRISMA) has received several new features in Thermo-Calc 2017b.

  • Elastic strain energy effect on precipitation can now be taken into account, as shown in the image below. Default values will be offered for each type of alloy or users can provide their own data. An elastically homogeneous system is assumed.
  • Non-spherical morphology of precipitate particles can be treated. If desired, the evolution of the shape factors for cuboids, plates or needles can be predicted together with the size, as shown in the image below. This new feature is explained in a new video for example P_09.
  • A bug that sometimes led to a sudden stop of a simulation because of the "negative matrix composition" error has been fixed.
  • A new calculation type, CCT or Continuous Cooling Transformation, has been added to the software, as shown in the image below. The new calculation type is explained in a new video for example P_07.
  • Three new examples are included to help users learn about the new features: P_07, P_08 and P_09. All Precipitation module examples can be found in the software in the Help Menu > Open Examples > Precipitation Module - TC-PRISMA.

 

3D Plotting
Thermo-Calc 2017b includes 3D plotting for Grid calculations in the Property Model Calculator and the Equilibrium calculator. See example T_11_Coarsening_and_Interfacial_energy or the accompanying T-11 tutorial video.

 

Improvements to the Scheil calculator
The Scheil Calculator has been updated to be faster and more reliable. The improved Scheil calculator has better handling of multiple composition sets and no longer resets if a new composition set is found. Additionally, it now automatically changes numerical settings if needed.

 

Usability Improvements and Bug Fixes

  • Users can now enter custom contour values in contour plots.
  • Using the tab key to jump to a text box now auto-selects all text in the box.
  • The periodic table has higher contrast colours for selected/deselected elements.
  • A bug was fixed that caused the graphical mode of Thermo-Calc to scale oddly on high resolution screens.
  • Many other bug fixes

 

Read the 2017b Release Notes 

 


Thermo-Calc 2017a

Thermo-Calc 2017a was released in late March 2017 and includes many significant changes to the software. 

 

Highlights of the 2017a Release:


Read the 2017a Release Notes


DICTRA Available in the Graphical Mode

The software program for accurate simulation of diffusion controlled reactions in multicomponent alloy systems formerly known as DICTRA is available in the graphical mode for the first time ever as an add-on module in Thermo-Calc 2017a. The new graphical version, known as the Diffusion module, incorporates much of the functionality of the console mode version of DICTRA with the easy-to-use graphical interface of Thermo-Calc, making it easier than ever for users to begin making diffusion simulations. The new graphical mode comes complete with four examples and a Quick Start Guide to help users begin working in the module immediately. Users without a DICTRA license will be able to test the module using DEMO databases included in their software. Watch the new Diffusion module (DICTRA) examples videos


User Developed Property Models
A new Property Model Development Framework allows users to develop their own property models and seamlessly integrate them into Thermo-Calc. This new framework vastly expands what users can do with the software by allowing you to customise the software to meet to your industry's needs.

Models are developed using the easy-to-learn programming language Python, and model development is possible without any additional installation using a simple editor, such as Notepad++. Users can also use a Python Integrated Development Environment to access advanced features such as debugging of the property models and autocompletion.

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

Learn more and and get started with the step-by-step model development guide.

New Liquidus and Solidus Model
The Property Model Calculator has a new Liquidus and Solidus model which makes it fast and easy to complete this common calculation. For example, with this model, one can easily use uncertainty calculations, varying one or more conditions and see how that affects the liquidus and solidus temperatures. 

Table renderer in the Property Model Calculator
The Property Model Calculator now has a table renederer, making it easier to read results. Results can also be exported in a variety of formats.

Improved Contour Plots
Contour plots are now easier to read with improved plotting that makes figures the same colour as the lines they reference and follow the same gradient.

Examples accessible from the software
Examples can now be accessed from within the software in the Help menu > Open Examples. The examples files are fully configured and ready to run. Users who do not have a Diffusion module (DICTRA) or Precipitation module (TC-PRISMA) license can run the examples with only two elements using the free DEMO databases included in your software.

PDF Documentation available in the software
Users can now access all documentation in PDF format from within Thermo-Calc in the Help menu > Open Manuals Folder. The Online Help is also still accessible in the Help menu > Online Help. Online Help is is fully searchable and cross-referenced for easy use.

12 New and Updated Databases
TCFE9: Ce has been added to this 28 element database (Ar, Al, B, C, Ca, Ce, Co, Cr, Cu, Fe, H, Mg, Mn, Mo, N, Nb, Ni, O, P, S, Si, Ta, Ti, V, W, Y, Zn, Zr). The database has been improved for modelling high Mn, high Al steels, including the ordered phase BCC_B2. Improvments have also been made to the FCC/HCP phases so that epsilon martensite calculation is possible. Many other improvements were also made. MOBFE4, a corresponding mobility database, has also been updated.

TCHEA2: Version 2 of the high entropy alloys database adds the elements C, N, Re, Ru and Si to this 20 element framework (Al, C, Co, Cr, Cu, Fe, Hf, Mn, Mo, N, Nb, Ni, Re, Ru, Si, Ta, Ti, V, W, Zr). All the binary and over 300 ternary systems have been assessed in full range of composition and temperature.

TCCU2: The copper database has been extended to include Mo and O in this 29 element framework (Cu, Ag, Al, As, Au, B, Be, Bi, C, Ca, Cd, Co, Cr, Fe, Mg, Mn, Mo, Nb, Ni, O, P, Pb, Pt, Se, Si, Sn, Ti, Zn, Zr). In this database 123 binary systems and 48 ternary systems have been evaluated and all necessary volume data included. MOBCU2, a corresponding mobility database, has also been updated.

TCOX7: The metal oxides database has been extended with a major update to include F, S, Nb, Cu, La and Gd. This 18 element database (Al, C, Ca, Cr, Cu, F, Fe, Gd, La, Mg, Mn, Nb, Ni, O, S, Si, Y, Zr) is suited to ceramics, metallurgical processing, corrosion, Thermal Barrier Coatings (TBC) and Yttria-Stabilised-Zirconia (YSZ).

MOBSLD1: This is a new atomic mobility database for Sn-/Au-/Bi-/Zn-based solder alloys and is compatible with the thermodynamic database for solders, TCSLD3, which has been updated for the release. In this 21 element database (Ag, Al, Au, Bi, Ca, Cd, Co, Cu, Ga, Ge, In, Mg, Mn, Ni, Pb, Pd, Pt, Sb, Si, Sn, Zn), 43 binary systems and 20 ternary systems have been assessed.

Other updated databases: MOBFE4TCNI8.1TCSLD3.2MOBCU2NUCL15MEPH15 and SLAG4.1

Read the 2017a Release Notes