Rigorous foundation of the Adam-Gibbs relation
ORAL
Abstract
The Adam-Gibbs relation which relates a transition rate to a configurational entropy has been used frequently in the analysis of relaxation in non-equilibrium systems, though its foundation is sloppy. In this presentation, I give a rigorous proof of the Adam-Gibbs relation on the basis of the free energy landscape (FEL) approach to non-equilibrium systems [1]. The FEL consists of many basins in a 3N dimensional space, and the elementary process of structural relaxations occurs between two adjacent basins. I define a cooperatively rearranging region (CRR) by the area of atoms forming two adjacent basins and tessellate the entire FEL into a set of CRR's. When the system contains N particles and the number of CRR’s is L, the average size of CRR is given by <????RR>=N/L. Denoting the probability of finding the k-th CRR of size ???? by ????, I find that the configurational entropy is given by ????= <−????lnΠ??=1??????> =??????∗=????∗??∕<????RR> with ????∗ =????ln2. The transition rate within the k-th CRR can be written as ????=??0exp (−Δ?? ????/??????), where Δ?? is the activation free energy per particle and ??0 is the attempt frequency. Then, the average transition rate is given by W(T)= (Πk=1??W??)1/??=??0exp (−Δ?? Σ??=1??????/??k????).Therefore, the transition rate is given by W(T)= ??0exp [−Δ?? ??????∗ /??????????(??)], which is the Adam-Gibbs relation. With the proper definition of CRR and the configurational entropy, I assess various estimations of the size of CRR reported before.
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Publication: [1] T. Odagaki, J. Phys. Soc. Jpn. 86, 082001(2017).<br>[2] T. Odagaki, in preparation
Presenters
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Takashi Odagaki
Kyushu University & RISE Inc.
Authors
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Takashi Odagaki
Kyushu University & RISE Inc.