Thermo-Calc Presentation Highlighted at EUROMAT 2017

Join Thermo-Calc Software at the premier conference on materials science in Europe, EUROMAT 2017, where we will be giving three presentations, one of which has been selected as a highlighted presentation. Additionally, John Ågren, who recently joined the company as a scientific adviser, will be giving a plenary talk at the conference, Computational modeling and Materials Design.

New extensions for the efficient development of CALPHAD-based ICME-tools: Development of property models for martensitic steels by Dr.-Ing. Ralf Rettig

Picture of Ralf Rettig

Ralf Rettig

Our first presentation, which was selected by EUROMAT to be a highlighted presentation, will focus on the new Property Model Development Framework which was released last March in Thermo-Calc 2017a.

The Property Model Development Framework allows users to develop their own property models using the easy-to-learn programming language Python, and then seamlessly integrate those models into Thermo-Calc. This new framework vastly expands what users can do with the software by allowing users to customise the software to meet their modelling needs. Model development is possible without any additional installations or complicated programs using a simple editor such as Notepad++.

Learn more about the Property Model Development Framework with the step-by-step model development guide.

A “high entropy” alloy database TCHEA2 and its application in alloy design by Dr. Hai-Lin Chen

Picture of Hai-Lin Chen

Hai-Lin Chen

Our second presentation discusses our high entropy alloys database, TCHEA2, which was initially released in 2015 and was updated in 2017, adding five new elements, C, N, Re, Ru and Si, to extend it to a 20 element framework.

The database was designed specifically for the rapidly expanding field of complex alloys, including high entropy alloys, multi-principle element alloys and complexly concentrated alloys.

 

A new thermodynamic database for Ti-based alloys and TiAl-based materials by Dr. Hai-Lin Chen

Picture of Hai-Lin Chen

Hai-Lin Chen

Our third presentation discusses the new titanium database that will be released this fall in Thermo-Calc 2017b.

This database is the first thermodynamic database which covers both Ti-based alloys and TiAl-based materials, and, moreover, it can be employed to  design light alloys based on the Al3Ti and AlTi3 intermetallic phases.

 

Times and locations of talks will be announced toward the end of the summer.

Be sure to stop by our booth in the exhibition hall, where we’ll have experts ready to answer your questions. Learn more at the EUROMAT 2017 website.

This year EUROMAT is being held in Thessaloniki, Greece, September 17-22, 2017. The biennial conference, which is celebrating its 30th anniversary this year, is hosted by the Federation of European Materials Societies (FEMS), an organisation that brings together more than 25 materials societies from all over Europe to facilitate communication between the organisations.

 

Thermo-Calc 2017b Release Preview

Thermo-Calc 2017b is scheduled for release late fall 2017. The release includes many exciting upgrades and new features, such as:

New and Updated Databases:
Thermo-Calc 2017b includes several new databases. TCNOB1 is a noble metal alloys database being offered for the first time this release.

We will also be offering two new titanium databases. TCTI1 is a brand new Titanium database, covering both Ti and TiAl alloys, and has been developed by TCS AB in collaboration with a project with industrial partners. MOBTI2 is the second edition of the titanium mobility database and will be compatible with TCTI1.

The 2017b release includes updates to three other databases: the aluminium database TCAL5 and the general alloys databases SSOL6.1 and SSUB6.

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 will be possible to set boundary conditions.
  • A new advanced mode gives users more control over the plots and allows you to plot additional combinations, such as the composition 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.

    Screen shot of the Diffusion module (DICTRA) showing visible regions and a new tool tip.

    In the Diffusion module (DICTRA) small regions which were previously not shown are now visible with a dashed line. Additionally, 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.

  • 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.

    Screen shot of Thermo-Calc showing user defined composition profiles.

    Composition profiles are now visualised before you plot the results and a tool tip helps users set the composition profile.

New Features in the Precipitation module (TC-PRISMA): The Precipitation module (TC-PRISMA) has received several new features, the biggest upgrades are:

  • Elastic strain energy effect on precipitation can now be taken into account. 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.
  • A bug that sometimes led to a sudden stop of a simulation because of the “negative matrix composition” error has been fixed.

3D Plotting: Thermo-Calc 2017b includes 3D plotting for Grid calculations in the Property Model Calculator and the Equilibrium calculator.

A 3D plot of the solidus and liquidus temperature for a 6 component Ni alloy made with the new 3D plotting feature in Thermo-Calc.

Improvements to the Scheil calculator: The Scheil calculator has improved auto scaling which removed a bug that showed negative phase fractions when simulations were plotted. The calculator has several other bug fixes.

Usability Improvements and Bug Fixes

  • Users can now enter custom contour values in contour plots.

    Screen shot of contour plot in Thermo-Calc.

    Users can now add their own custom contour values to contour plots. The program auto-adjusts the scaling on the plot to show the custom values.

  • 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

 

Thermo-Calc Software Welcomes John Ågren to the Company

Headshot of John Ågren

John Ågren

Thermo-Calc Software are excited to announce that Prof. John Ågren has joined the company as a Senior Scientific Advisor.

Prof. Ågren was one of the original developers of Thermo-Calc in the late 1970s, working with two others, Bo Sundman and Bo Jansson, to write the preliminary code and develop the initial databases as part of their doctoral thesis projects at the Royal Institute of Technology (KTH) in Stockholm, Sweden. The three students were working on separate projects, but each needed access to thermodynamic data, so they set out to create collaborative software to help them complete their research, and by 1981, they had completed the first version of Thermo-Calc. The software was soon licensed to other organisations, and in 1997, the company Thermo-Calc Software AB was founded. Continue reading

THERMO-CALC USED AT TOP UNIVERSITIES

The annual QS World University Rankings by Subjects was released in March, and this year, over 70% of the top 100 universities that specialise in Materials Science are Thermo-Calc users. Thermo-Calc Software have long supported universities and we are proud to see that so many of our users are being recognised as top Materials Science Programs.

The annual QS World University Rankings by Subjects, published by British Quacquarelli Symonds every March, ranks universities around the world in 46 subjects, including Materials Science. Rankings are based on academic reputation, employer reputation and research impact. QS also publish a list of the top universities in the world overall every September, which also includes many Thermo-Calc users.  Continue reading

The Diffusion module (DICTRA) Now Available in the Graphical Mode

The Diffusion module (DICTRA), the software program for accurate simulation of diffusion controlled reactions in multicomponent alloy systems, is now available in the graphical mode beginning with Thermo-Calc 2017a, making it easier than ever for users to begin making diffusion simulations.  Continue reading

Educate the Educators: Summer School for Integrated Computational Materials Education

Current and future educators working in undergraduate thermodynamics, kinetics, mechanics of materials and solid-state physics are encouraged to apply for the 6th Summer School for Integrated Computational Materials Education, which will take place at the University of Michigan, Ann Arbor, June 5-16, 2017. Continue reading