Publication Newsletter

August 2025

Each month, dozens of research papers are published showcasing a wide variety of work being done using Thermo-Calc Software products. This edition of the publication newsletter highlights recent work in areas such as machine learning, additive manufacturing, and metal cutting. Featured materials include steels, high entropy alloys, refractory alloys, and more. We hope you find the publication newsletter to be a valuable resource for your own work.

Machine Learning

Physics-informed Gaussian process classification for constraint-aware alloy design
Christofer Hardcastle, Ryan O'Mullan, Raymundo Arróyave, Brent Vela

Digital Discovery

Products Used: High Entropy Alloys Databases

Additive manufacturing metallurgy guided machine learning design of versatile alloys

Jinlong Su, Lequn Chen, Steven Van Petegem, Fulin Jiang, Qinzhi Li, Junhua Luan, Swee Leong Sing, Jian Wang, Chaolin Tan

Materials Today

Products Used: Steel and Fe-alloys Database

Real-time experiment-theory closed-loop interaction for autonomous materials science

Haotong Liang, Chuangye Wang, Heshan Yu, Dylan Kirsch, Rohit Pant, Austin McDannald, A. Gilad Kusne, Ji-Cheng Zhao, Ichiro Takeuchi 

Science Advances

Additive Manufacturing

High-throughput alloy and process design for metal additive manufacturing

Sofia Sheikh, Brent Vela, Pejman Honarmandi, Peter Morcos, David Shoukr, Abdelrahman Mostafa Kotb, Ibrahim Karaman, Alaa Elwany, Raymundo Arróyave

npj Computational Materials

Products Used: High Entropy Alloys Databases, Aluminium-based Alloys Databases, Nickel-based Superalloys Databases, TC-Python

Integrated computational framework for the optimization of the microstructure in additive manufacturing of metals

Victor D. Fachinotti, Sylvain Gouttebrozze, Stéphane Dumoulin, Xiaobo Ren

Computational Materials Science

Products Used: Steel and Fe-alloys Database, Diffusion Module (DICTRA)

Metal Cutting

Tool wear and tool protection in metal cutting : in-process interaction between workpiece, tool, and environment

Axel Bjerke

Lund University Publications

Products Used: TC-Python, Diffusion Module (DICTRA)

Watch On-Demand Release Webinar

In June, we launched Thermo-Calc 2025b and hosted a webinar covering highlights from the release - like elastic properties in the Ni-based Superalloys Database and both elastic and oxygen properties in the High Entropy Alloys Database, as well as various user experience enhancements. Watch now for a quick overview and see how the latest features can improve your simulations.

Watch the free on-demand webinar today!

Steel

Hybrid Tool Holder by Laser Powder Bed Fusion of Dissimilar Steels: Towards Eliminating Post-Processing Heat Treatment

Faraz Deirmina, Ville-Pekka Matilainen, Simon Lövquist

Manufacturing and Materials Processing

Products Used: Steel and Fe-alloys Database, Diffusion Module (DICTRA) 

Time-Dependent 600 °C Post-Weld Heat Treatment Response of Laser-Wire-Directed Energy Deposited Austenitic Stainless Steel Claddings on Carbon Steel

Scott C. Bozeman, Lukas Daut, Brian K. Bay, O. Burkan Isgor, Julie D. Tucker

Metallurgical and Materials Transactions A
Products Used: Steel and Fe-alloys Database, Diffusion Module (DICTRA)

High Entropy Alloys

Reversible Hydrogen Storage at Moderate Pressure–Temperature Conditions of C14 Laves Phase Alloys of the (Ti0.5–xZr0.5–xNb2x)1(Mn0.5Cr0.5)2 System

Jéssica Bruna Ponsoni, Vinícius Aranda, Walter J. Botta, Guilherme Zepon

ACS Applied Energy Materials

Products Used: High Entropy Alloys Databases

Metastability-engineering strategy in CoCrFeMnNi-based medium- and high-entropy alloys: Unraveling the interplay with recrystallization, grain growth, and mechanical properties

David D.S. Silva, Gustavo Bertoli, Paul Mason, Nelson D. Campos Neto, Norbert Schell, Michael J. Kaufman, Amy J. Clarke, Francisco G. Coury, Claudemiro Bolfarini

International Journal of Plasticity

Products Used: Steel and Fe-alloys Database

Refractory Alloys

Thermokinetic Modeling Approach for Aluminide Diffusion Coatings on Molybdenum Substrates

Jurica Filipovic, Katharina Beck, Christian Kontermann, Mathias Galetz, Matthias Oechsner

Advanced Engineering Materials

Products Used: Diffusion Module (DICTRA), Titanium and TiAl-based Alloys Databases

Nickel

Coating-by-design: design a high-temperature oxidation and corrosion resistant Zr-doped MCrAlY coating fabricated by magnetron sputtering

Shen Tao, Hui Peng, Anqin Zhang, Hongbo Guo

Applied Surface Science Advances

Products Used: Nickel-based Superalloys Databases

Aluminum

A Metallurgically Informed Multiscale Integrated Computational Framework for Metal Forming Processes

Vasilis Loukadakis and Spyros Papaefthymiou

Crystals

Products Used: Aluminium-based Alloys Databases

Solder Alloys

Effects of Ag and melt undercooling on the microstructure of Sn–Ag solder balls

Sihan Sun, Ao Li, Chao Cheng, Christopher M. Gourlay 

Journal of Materials Science: Materials in Electronics

Products Used: Solder Alloys Databases

Do you have a recently published paper you'd like us to include?

Please send us a link and we will consider it for the next Publication Newsletter. We also consider slide decks from presentations, videos of talks, and anything that may be of technical benefit to our broad user community.

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