Configurational Entropy and Diffusivity of Supercooled Water

Details Configurational Entropy and Diffusivity of Supercooled Water Configurational Entropy and Diffusivity of Supercooled Water

1999-08-21

arxiv.org/abs/cond-mat/9908301v2

Physics

Condensed Matter

Soft Condensed Matter

Significant update of references

Scientific paper

10.1038/35018034

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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