Authors: Zi-Kui Liu

Published on: February 06, 2024

Impact Score: 8.3

Arxiv code: Arxiv:2402.04143

Summary

• What is new: A multiscale entropy approach, termed zentropy theory, that integrates quantum mechanics with statistical mechanics, providing a unified view of thermodynamics.
• Why this is important: Lack of quantitative agreement between the predictions of traditional thermodynamics and experimental observations.
• What the research proposes: Developing zentropy theory to accurately predict entropy and free energy, and a theory of cross phenomena for nonequilibrium systems.
• Results: Quantitative predictive theories for experimental observables that bridge the gap between traditional thermodynamics and real-world experiments.

Technical Details

Technological frameworks used: Zentropy theory, DFT-based quantum mechanics, Gibbs statistical mechanics, combined law for nonequilibrium systems

Models used: Density Functional Theory (DFT), Onsager Theorem

Data used: Experimental observables in thermodynamics

Potential Impact

Energy sector, chemical manufacturing, materials science companies

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