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The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard ...
- New York
- 1st Edition
22 de sept. de 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 titanate, including identifying three types of possible configurations in the material.
19 de mar. de 2022 · Zentropy integrates entropy at multiscale levels. Credit: Elizabeth Flores-Gomez Murray/Jennifer M. McCann, Penn State. A challenge in materials design is that in both natural and manmade materials, volume sometimes decreases, or increases, with increasing temperature.
- Penn State University
The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard ...
- New York
- 1st Edition
3 de feb. de 2022 · The zentropy theory is discussed in the present work in the framework of Boltzmann-Gibbs entropy formalism by considering multiscale entropic contributions to a phase at finite temperatures in terms of thermal electronic, vibrational, and spin configurations.
11 de ago. de 2023 · The concept is called entropy, and examples can be found everywhere: ice melting, campfire burning, water boiling. Zentropy theory, however, adds another level to the mix.
11 de ago. de 2023 · Systems in the universe trend toward disorder, with only applied energy keeping the chaos at bay. The concept is called entropy, and examples can be found everywhere: ice melting, campfire...
