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Molecular dynamics study of orientational cooperativity in water
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Recent experiments on liquid water show collective dipole orientation fluctuations dramatically slower than expected (with relaxation time >tation, the self-dipole randomization time tr, which is an upper limit on ta; we find that tr5ta. Third, to check if there are correlated domains of dipoles in water which have large relaxation times compared to the individual dipoles, we calculate the randomization time tbox of the site-dipole field, the net dipole moment formed by a set of molecules belonging to a box of edge Lbox. We find that the site-dipole randomization time tbox2.5ta for Lbox3 , i.e., it is shorter than the same quantity calculated for the self-dipole. Finally, we find that the orientational correlation length is short even at low T.
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KUMAR, Pradeep, et al. Molecular dynamics study of orientational cooperativity in water. Physical Review E. 2006. Vol. 73, num. 4, pags. 041505-1-041505-8. ISSN 1063-651X. [consulted: 14 of August of 2026]. Available at: https://hdl.handle.net/2445/18789