Seoul National Univ. DMSE
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Seminar & Colloquium

Seminar & Colloquium
[세미나: 5월 22일(목), 오전 11시] Prof. Zi-Kui Liu, The Pennsylvania State University
| Titles | Zentropy

| Speaker | Prof. Zi-Kui Liu 
                     Department of Materials Science and Engineering, The Pennsylvania State University

*Biography
Zi-Kui Liu is the Dorothy Pate Enright Professor in the Department of Materials at Pennsylvania State University. He received a bachelor's degree from Central South University (China), a master's degree from the University of Science and Technology Beijing (USTB, China), and his doctorate from the Royal Swedish Institute of Technology (Sweden). He worked at USTB, the Royal Institute of Technology, the University of Wisconsin-Madison, and QuesTeck Innovation before joining the Pennsylvania State University in 1999. Prof. Liu has been the Editor-in-Chief of the “CALPHAD” journal since 2000 and coined the term “Materials Genome” in 2002. He was the leading author of the textbook “Computational Thermodynamics of Materials” and edited two-volume reference books titled “Zentropy”. Prof. Liu is a Fellow of ASM International and TMS and served as the 100th President of ASM International and was on the boards of TMS and ASM International.

| Date Thursday, May 22, 2025

| Time | 11:00~12:00

| Venue | #222, Bldg.33 (DB세미나실)

| Abstract |

Entropy is a fundamental concept in thermodynamics, and the entropy production in internal processes is crucial to non-equilibrium thermodynamics. Accurate prediction of entropy as a function of internal variables for stable, metastable, and unstable states is essential for the stability and evolution of any systems. Over the past two decades, we have developed a multiscale entropy approach, recently termed zentropy theory, which integrates DFT-based quantum mechanics and Gibbs classical statistical mechanics. In this approach, the total energy of individual configurations is replaced by their respective free energies. Zentropy theory has proven its capability to accurately predict entropy and Helmholtz energy landscapes for stable, metastable, and unstable states of magnetic materials with strongly correlated physics and property anomalies, such as negative thermal expansion (https://doi.org/10.1007/s11669-022-00942-z). Recently, zentropy theory has been applied to predict the entropy of liquid phases and melting temperatures of various materials (https://doi.org/10.1103/physrevresearch.7.l012030). Its applicability is also being extended to ferroelectric materials (https://doi.org/10.1103/PhysRevB.110.184103), plasticity (https://doi.org/10.1016/j.ijplas.2025.104303), and superconductors (https://arxiv.org/abs/2404.00719).


Host | Prof. In-Ho Jung (02-880-7077)