Novel theory of entropy may solve materials design issues

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Novel theory of entropy may solve materials design issues
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Novel theory of entropy may solve materials design issues penn_state

that expresses the measure of the disorder of a system that occurs over a period of time when there is no energy applied to keep order in the system. Think of a playroom in a preschool; if no energy is put into keeping it tidy, it quickly becomes disordered with toys all over the floor, a state of high entropy. If energy is put in via cleaning up and organizing the room once the children leave, then the room returns to a state of order and low entropy.

"When we talk about the configuration entropy that entropy is only part of the entropy of the system," said Zi-Kui Liu, Dorothy Pate Enright Professor of Materials Science and Engineering and primary investigator in the study."So, you have to add the entropy of individual components of that system into the equation, and then you consider the different scales, the universe, the Earth, the people, the materials; these are different scales within different systems.

"You have these different scales and you can stack them up with Zentropy theory," Liu said."For example, atoms as a vibrational property, that's low scale, then you have electronic interaction, that even lower scale. So now how do you stack them together to cover the entire system? So that is what the Zentropy equation is about, stacking them together. It creates a partition function that is the sum of all the entropy scales.

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