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SUMMARY:Zentropy - Zi-Kui Liu\, Department of Materials Science and Engine
 ering\, Pennsylvania State University
DTSTART:20220803T100000Z
DTEND:20220803T110000Z
UID:TALK177068@talks.cam.ac.uk
CONTACT:Chuck Witt
DESCRIPTION:Macroscopic properties of a system represent the responses of 
 the system to external stimuli\, i.e.\, its internal processes. Their pred
 iction remains a key challenge in science.  Based on the second law of the
 rmodynamics\, entropy drives all internal processes in systems.  While the
  total entropy of a system can be accurately obtained by integration of ex
 perimentally measured heat capacity\, its theoretical prediction remains e
 lusive due to the difficulty in theoretically sampling all configurations 
 in the system.  Entropy of a system is counted theoretically by either sta
 tistical mechanics in terms of Gibbs distribution or quantum mechanics in 
 terms of Fermi-Dirac and Bose Einstein distributions.  Our newly termed ze
 ntropy theory integrates them into a nested formula to account for disorde
 r and fluctuations from the electronic scale to the macroscopic scale of t
 he system [1].  In this presentation\, the zentropy theory is introduced t
 hrough the combined law of thermodynamics containing entropy production du
 e to internal processes\, and its capability is demonstrated through predi
 ction of emergent behaviors in magnetic and ferroelectric materials includ
 ing singularity at critical points\, effects previously thought to be expl
 ainable exclusively via strong correlated physics.  Discussions in fundame
 ntal understanding and parameter-free prediction of the magnetic and ferro
 electric properties will be given.  Furthermore\, the entropy production i
 n the combined law enables us to derive flux equations and coefficients of
  cross-phenomena from fundamental thermodynamics [2].\n\n[1] Liu\, Z.-K.\,
  Wang\, Y. & Shang\, S.-L. Zentropy Theory for Positive and Negative Therm
 al Expansion. J. Phase Equilibria Diffus. (2022) doi:10.1007/s11669-022-00
 942-z.\n\n[2] Liu\, Z.-K. Theory of cross phenomena and their coefficients
  beyond Onsager theorem. Mater. Res. Lett. 10\, 393–439 (2022).
LOCATION:Goldsmiths 1\, Department of Materials Science &amp\; Metallurgy
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