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Journal of Structural Chemistry

2014 year, number 6

LONG–TIME CORRELATIONS IN THE DIFFUSIVE MOTION OF LIQUID ARGON ATOMS

V. P. Voloshin1, G. G. Malenkov2, Yu. I. Naberukhin1,3
1Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia
3Novosibirsk State University, Novosibirsk, Russia
Keywords: liquid argon, diffusive motion, collective effects, large–scale correlations

Abstract

The dynamics of liquid argon (~49 000 atoms in a cubic periodic cell) near the triple point is simulated. Two–particle correlation functions describing the simultaneous diffusive displacement of a pair of particles are calculated. Time dependence of the mean scalar product of the displacement vectors of two particles reaches a plateau. Previously, we detected such a behavior of this function for liquid water.