Conference Tools for 2022 TMS Annual Meeting & Exhibition

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Meeting	2022 TMS Annual Meeting & Exhibition
Symposium	Hume-Rothery Symposium on Connecting Macroscopic Materials Properties to Their Underlying Electronic Structure: The Role of Theory, Computation, and Experiment
Presentation Title	Cross Phenomena and Predictions of Their Coefficients
Author(s)	Zi-Kui Liu
On-Site Speaker (Planned)	Zi-Kui Liu
Abstract Scope	Cross phenomena, representing responses of a system to external stimuli, are ubiquitous in every scale from quantum to macro. The Onsager theorem is often used to describe that the coefficient matrix of cross phenomena connecting the driving forces and the fluxes of internal processes is symmetric. Here we show that this matrix is intrinsically diagonal when the driving forces are chosen from the potentials in the combined law of thermodynamics. We emphasize that an internal process for the change of a molar quantity is driven solely by its conjugate potential based on the combined law of thermodynamics, and cross phenomena manifest through the dependence of the potential on other potentials and are not related to the Onsager reciprocal relations. An approach is presented to predict the coupling coefficients through the second derivatives of free energy or first derivatives between potentials.
Proceedings Inclusion?	Planned:

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