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Celebrating Excellence in Thermodynamics: “Third Generation Calphad for Key Elements” Receives Editor’s Choice Award

Thermo-Calc Software is proud to announce that a paper co-authored by our Chief Scientific Officer and Director of Research & Innovation, Prof. Qing Chen, has received the prestigious Editor’s Choice Award from the Journal of Phase Equilibria and Diffusion (JPED). The award-winning paper, titled Third Generation Calphad for Key Elements, was co-authored with Zhangting He of Swerim, and Malin Selleby of KTH Royal Institute of Technology. The paper was published in 2024, and the award was announced in 2025.

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Prof. Qing Chen
Chief Scientific Officer
Thermo-Calc Software

Third Generation Calphad for Key Elements

The paper Third Generation Calphad for Key Elements delves into the models used for third-generation Calphad (CALculation of PHAse Diagrams) descriptions. It covers stable, metastable, and liquid phases of key elements such as aluminum, carbon, chromium, cobalt, iron, gallium, nickel, and tungsten. The paper details the evolution of thermodynamic descriptions for these elements and includes new assessments where necessary.

One of the key highlights of the paper is its practical guidelines for future optimization and modeling efforts. By providing comprehensive thermodynamic descriptions of the elements, the paper aims to facilitate further research and development in the field. The inclusion of suggested starting values for optimizing various parameters makes it a valuable resource for researchers working on thermodynamic modeling.

The Impact of Third Generation Calphad Models

Third-generation Calphad models represent a significant advancement over previous generations. These models address some of the limitations of earlier descriptions, such as how to extrapolate thermodynamic data for both liquid and solid phases. They also aim to make the descriptions valid and reliable from 0 K instead of room temperature, introducing more physically based models.

The impact of these models is far-reaching. They provide a solid foundation for the computational design and simulation of multicomponent materials, enabling more accurate predictions of phase equilibria and thermodynamic properties. This, in turn, has significant implications for various applications, including alloy development, additive manufacturing, and process metallurgy.

About the Journal and Award Selection

The Journal of Phase Equilibria and Diffusion (JPED) is a bimonthly, peer-reviewed publication that explores the properties of phases in inorganic materials, with a special focus on alloy systems. It features research on crystallography, chemistry, diffusion, thermodynamics, and kinetics, with contributions from international experts. JPED also includes phase diagram evaluations and covers various aspects of phase transformations, solidification, and environmental performance. Every year, the editorial team of JPED reviews the published papers to select a few exceptional ones for the Editor’s Choice Award. The selection process considers various factors such as the quality of research, clarity of text and figures, originality, and relevance to the field.

This recognition is particularly meaningful as the manuscript was part of a special tribute issue of the journal, commemorating the 100th anniversary of Mats Hillert’s birth.

Qing Chen’s Other Achievements

Prof. Qing Chen’s recognition with the Editor’s Choice Award is one of many accolades he has received throughout his career. Notably, his paper A Review of Calphad Modeling of Ordered Phases received the JPED Editor’s Choice Award in 2018.

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