Jones Seminar: CALPHAD—Building a Navigation System for Materials Design and Discovery

Wei Xiong, Director, Physical Metallurgy & Materials Design Lab, U Pittsburgh

Friday, September 27, 2019, 3:30–4:30pm

Rm 100 (Spanos Auditorium), Cummings Hall

CALPHAD (calculation of phase diagrams) has been widely used in alloy research providing thermodynamic and kinetic information as the basis of integrated computational materials design. Thanks to the versatile application in alloy innovations and deployment, CALPHAD has been developed far beyond its initial functionality for phase diagram calculations. It can be applied in combination with other physical models to enhance the predictability of process-structure-property relationships. In this talk, we will first get familiar with phase diagrams and CALPHAD. The on-going efforts of establishing an integrated computational materials design framework will be introduced to demonstrate CALPHAD-based alloy design and materials discovery. A case study on CALPHAD modeling of Fe-Ni alloys illustrates the importance of magnetic ordering energy in metastable phase prediction in steels. The work on additive manufacturing emphasizes the essential integration of CALPHAD modeling with other tools of mechanical engineering for a successful design. Importantly, the CALPHAD method is not limited to the application of metals and alloys. Thermodynamic modeling of martensitic phase behavior in bacterial flagella indicates the possible extension from the Materials Genome to biology through CALPHAD methodology. With interdisciplinary collaboration, CALPHAD-based methods are ready to integrate and serve as a navigation system for accelerated materials discovery and design.

About the Speaker

Dr. Wei Xiong is the director of the Physical Metallurgy and Materials Design Laboratory at the University of Pittsburgh. He joined U Pittsburgh as an assistant professor in 2016. Dr. Xiong earned his PhD in computational thermodynamics and physical metallurgy from KTH Royal Institute of Technology in Sweden and his DE in powder metallurgy from Central South University in China. In 2012, he moved from Sweden to the US after his PhD research program. He stayed one year at the University of Wisconsin–Madison before joining Northwestern University as a research associate for alloy design research. Using the CALPHAD-based ICME methods, Xiong works in materials design and process optimization, which covers a broad range of inorganic materials, and focuses on phase equilibria and phase transformations. He has more than 50 publications related to physical metallurgy, including seven invited book chapters. Xiong serves on the ASM International Alloy Phase Diagrams Committee, TMS Alloy Phases Committee (vice-chair), TMS High-Temperature Alloys Committee, and TMS Additive Manufacturing Committee and is the TMS ICME education sub-committee chair. He has received several academic awards including: Best Paper Awards of the CALPHAD journal and TMS FMD Young Leader Professional Development Award. Xiong serves as an associate editor of the journal Science and Technology of Advanced Materials.

For more information, contact Marge Heggison at