Configurational Entropy and Diffusivity of Supercooled Water
Preprint
- 27 August 1999
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).Keywords
All Related Versions
- Version 1, 1999-08-21, ArXiv
- Version 2, 1999-08-27, ArXiv
- Published version: Nature, 406 (6792), 166.
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