q-exponential distribution in time correlation function of water hydrogen bonds

AUTOR(ES)

Campo, M. G., Ferri, G. L., Roston, G. B.

FONTE

Brazilian Journal of Physics

DATA DE PUBLICAÇÃO

2009-08

RESUMO

In a series of molecular dynamics simulations we analyzed structural and dynamics properties of water at different temperatures (213 K to 360 K), using the Simple Point Charge-Extended (SPC/E) water. We detected a q-exponential behavior in the history-dependent bond correlation function of hydrogen bonds. We found that q increases with T -1 below approximately 300 K and is correlated to the increase of the tetrahedral structure of water and the subdiffusive motion of the molecules.

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