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  1. Mar 19, 2022 · Zentropy is a play on entropy, a concept that measures the disorder of a system. It integrates entropy at different scales and can predict the change of volume as a function of temperature in materials with positive or negative thermal expansion.

    • Penn State University
  2. This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) fundamentals of thermodynamics, Materials Genome®, and zentropy theory; (2) zentropy theory for prediction of positive and negative thermal expansions.

    • New York
    • 1st Edition
  3. Sep 22, 2023 · Zentropy theory, developed by Zi-Kui Liu and his team, integrates quantum and statistical mechanics to predict how ferroelectric materials behave under different conditions. The theory can help design experiments and discover new materials with spontaneous electric polarization.

  4. Aug 11, 2023 · Zentropy and the art of creating new ferroelectric materials. Date: August 11, 2023. Source: Penn State. Summary: Systems in the Universe trend toward disorder, with only applied energy keeping...

  5. Zentropy theory is a thermodynamic approach to understand and predict the volume change of a phase as a function of temperature and pressure, based on the multiscale entropy of its configurations. The theory explains the positive and negative thermal expansion anomalies observed in some materials and their critical points, using first-principles calculations and statistical mechanics.

  6. Zentropy, which considers how entropy can occur over multiple scales within a system, may hold promise as a way to develop better ferroelectric materials. A team led by Zi-Kui Liu, the Dorothy Pate Enright Professor of Materials Science and Engineering at Penn State, developed the theory and recently published their latest paper on the concept ...

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  8. Aug 11, 2023 · In ferroelectrics, the configuration of electric dipoles in the material can change the direction of polarization. The researchers applied zentropy to predict the phase transitions in lead ...