Importance of CALPHAD Highlighted in Presentation

CALPHAD has a long and storied history that is often overlooked in the larger context of materials science. However, with the signing of the Materials Genome Initiative (MGI) by President Obama in 2011, the large-scale initiatives in the EU around Integrated Computational Materials Engineering (ICME) and similar efforts starting in Asia, with Japan and China in the lead, CALPHAD has been getting more recognition within the Materials Genome community.

This was highlighted in a fascinating presentation given by Dr. Qing Chen of Thermo-Calc Software at the IFAM 2016 conference in Nanjing, China, this September. The presentation discussed the history of CALPHAD and underscored its importance in the larger context of computational materials engineering.

Qing Chen giving a presentation on the history of CALPHAD

Dr. Qing Chen of Thermo-Calc Software giving a presentation on the history of CALPHAD at IFAM 2016 in Nanjing, China.

The presentation, CALPHAD and Beyond – The True Story of Materials Genome, began by acknowledging the people who have shaped the development of CALPHAD, starting all the way back in 1908 with Gibbs’ work on chemical thermodynamics and continuing until 2011 with President Obama’s historic launch of the Materials Genome Initiative. The image below includes clickable pictures, so you can read about each person’s contribution to the field.

Timeline of CALPHAD milestones

Click on the pictures to learn about each person’s contribution to CALPHAD!

Dr. Chen went on to describe CALPHAD and its many capabilities, as well as its limitations and challenges. He then discussed the role of CALPHAD in the larger context of computational materials engineering. As Dr. Chen stated in his presentation, “CALPHAD is essential to materials genome because it provides the only feasible source of input data for the simulation of materials processing and microstructure evolution in multicomponent systems.”

Flow chart showing relation of CALPHAD to ICME

The chart shows the relationship between many of the components used in ICME and highlights the central role of CALPHAD.

As shown in the image above, taken from Dr Chen’s presentation, CALPHAD also plays a central role in materials design because it is a bridging technology that can utilise both data from DFT calculations as well as experimental data into predictions for thermodynamics, phase equilibria and diffusion and precipitation kinetics of multicomponent materials. Such predictions, can then be used to provide composition and temperature dependent data as input to other models and codes in an ICME framework that deal with more of the macroscopic behaviour where typically such data are lacking.

As advances in technology continue to place increasing demands on discovering and optimising new materials, we will rely on computational materials engineering more heavily, and the importance of CALPHAD will only continue to grow

To learn more about the history of CALPHAD, read our Historic Note series, which tells the story of CALPHAD through the lens of the people who made the discoveries.



Thermo-Calc Now Offering ICME Modelling Services and Designed Alloys Services to the European Market

Thermo-Calc Software have partnered with the global leader in computational materials design, QuesTek Innovations, to offer Integrated Computational Materials Engineering (ICME) modelling services and novel materials design and development to the European market under the jointly founded company QuesTek Europe. Continue reading

Meet Thermo-Calc Software’s CEO

Thermo-Calc Software booth at World PM2016

Thermo-Calc Software CEO Anders Engström (right) with Hans Magnusson of Swerea KIMAB standing in the Thermo-Calc Software booth at World PM2016. We attend many conferences to get user feedback and stay connected to our customers.

This week Thermo-Calc Software is at the World PM2016 Congress and Exhibition in Hamburg, Germany, and our exhibition booth is staffed by none other than our CEO, Anders Engström. As a company, we attend nearly 50 conferences each year, sending a variety of employees to events. In fact, staff from all departments have attended conferences, including marketing, software and database development and even the finance department. Continue reading

Precipitation Module (TC-PRISMA) Integrated into Thermo-Calc

Beginning with Thermo-Calc 2016a the Precipitation Module (TC-PRISMA) has been integrated into Thermo-Calc, eliminating the need for users to install two separate software programs.

This integration offers a significant upgrade to the Precipitation Module (TC-PRISMA) as it gives it all the features that were already available within Thermo-Calc, such as overlaying plots and cloning systems.

Try the Precipitation module (TC-PRISMA) for Free

Users who do not have a Precipitation Module (TC-PRISMA) license can now try the precipitation calculator for free using one of the three free kinetic demo databases automatically included in the software.

Graphical mode examples 13 and 16 are available to all users, even those without a license.

Runs on Mac and Linux OS

Now that it is integrated into Thermo-Calc, the Precipitation module (TC-PRISMA) is supported on several Mac and Linux operating systems. See the System Requirements for a complete list.

Continue reading