NDLI: Collective motions in computer models of water. Large-scale and long-time correlations

Content Provider	Springer Nature Link
Author	Voloshin, V. P. Malenkov, G. G. Naberukhin, Yu. I.
Copyright Year	2013
Abstract	Two-particle correlation functions describing the simultaneous motion of a pair of molecules initially separated by a given distance R0 are calculated to study collective effects in the diffusive motion of water molecules in molecular dynamics models. Various types of such functions and their dependences on the interaction potential, temperature, and the number of particles in the model are considered. At short times (of the order of ten picoseconds), these functions exhibit irregular behavior depending on R0. The most nontrivial and unexpected result was the detection of correlations in the displacements of pairs of particles that extend for tens of angstroms and last for hundreds of picoseconds. Such correlations are not observed in the random walk models of noninteracting particles. It is suggested that the observed large-scale correlations reveal the vortex-like motions of the molecules.
Starting Page	233
Ending Page	251
Page Count	19
File Format	PDF
ISSN	00224766
Journal	Journal of Structural Chemistry
Volume Number	54
Issue Number	2
e-ISSN	15738779
Language	English
Publisher	Springer US
Publisher Date	2014-01-29
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	water structure diffusive motion collective effects large-scale correlations vortices Inorganic Chemistry Physical Chemistry Atomic, Molecular, Optical and Plasma Physics Atomic/Molecular Structure and Spectra Solid State Physics
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Physical and Theoretical Chemistry Inorganic Chemistry

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