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arXiv · cond-mat/9908301

Configurational Entropy and Diffusivity of Supercooled Water

Antonio Scala·Francis W. Starr·Emilia La Nave·Francesco Sciortino·H. Eugene Stanley
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Abstract

We calculate the configurational entropy S_conf for the SPC/E model of water for state points covering a large region of the (T,rho) plane. We find that (i) the (T,rho) dependence of S_conf correlates with the diffusion constant and (ii) that the line of maxima in S_conf tracks the line of density maxima. Our simulation data indicate that the dynamics are strongly influenced by S_conf even above the mode-coupling temperature T_MCT(rho).

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Antonio Scala, Francis W. Starr, Emilia La Nave, Francesco Sciortino, H. Eugene Stanley. 1999-08-27. Configurational Entropy and Diffusivity of Supercooled Water. https://doi.org/10.1038/35018034

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