Novel Zentropy Theory May Help Address Long-Time Challenge in Materials Design, Researchers Show Us How

A team of researchers at Penn State has recently developed a theory to explain, and eventually predict Zentropy, a play on entropy.

As specified in a Phys.org report, a challenge in materials design is that in both manmade and natural materials, volume increases or decreases with rising temperature.

Novel theory of #entropy may solve materials design issues @penn_state https://t.co/LHgGPM4DDf
— Phys.org (@physorg_com) March 16, 2022

While there are mechanical explanations for this phenomenon for certain specific materials, a general insight of why this sometimes occurs stays lacking.

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Zentropy has the potential to allow the fundamental insight and design of materials with emergent properties, like new superconductors and new ferroelectric materials that could result in new classes of electronics.

Zentropy

Essentially, Zentropy is a concept central to the second law of thermodynamics that expresses the measure of the disorder of a system that takes place over a period of time when there is no energy used to keep order in the system.

Moreover, Zentropy theory notes that the thermodynamic association of thermal expansion, when the volume increases because of higher temperatures, is equal to the negative derivative of entropy with respect to pressure; for instance, most material systems' entropy decreases within an increase in pressure.

This allows Zentropy theory to forecast the change of volume as the use of temperature at a multiscale level, which means the different scales within a system. Each state of matter has its entropy, and various parts of a system have their entropy.

According to Zi-Kui Liu, Dorothy Pate Enright, Professor of Materials Science and Engineering and primary investigator in the study, published in the Journal of Phase Equilibria and Diffusion, "When we talk about the configuration entropy, that entropy is only a portion of the entropy of the system.

Therefore, he added, there is a need to add the entropy of individual components of that system into the equation, and when one considers the different scales, the universe, the planet, the materials, and this planet; these are different scales within various systems.

Potential to Change Materials Design

This method has been something the lab of Liu has worked on for over a decade and five different published research. The notion turned very simple after they studied it and understood it.

Additionally, Zentropy has the potential to change the manner materials are designed, particularly those that are part of systems that are exposed to hotter temperatures. Such temperatures, given thermal expansion, could result in issues if the materials expand.

Liu explained this could allow the fundamental insight and design of materials with emergent properties, like new superconductors and new ferroelectric materials, resulting in new classes of electronics. Other applications like designing better structural materials that endure higher temperatures are also possible, added the primary investigator.

Entropy Existing in All Systems

While there are advantages for society, study investigators could apply Zentropy to multiple fields. This is due to how entropy exists in all systems, a similar Nanowerk report said.

Liu also said that the Zentropy theory has the potential to be applied to the more extensive system as entropy is driving changes in all systems, whether they are black holes, societies, forests, or planets.

Together with Liu, other research authors include Shun-Li Zhang, a research professor in materials science and engineering, and Yi Wang, a research professor in material science and engineering.

Related information about entropy is shown on Professor Dave Explains' YouTube video below: