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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.
19 de mar. de 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.
11 de nov. de 2022 · Lennard-Jones Centre discussion group seminar by Prof. Zi-Kui Liu from Pennsylvania State University. Macroscopic properties of a system represent the respon...
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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.
22 de sept. de 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.
11 de ago. de 2023 · The researchers applied zentropy to predict the phase transitions in lead titanate, including identifying three types of possible configurations in the material.
