Velocity autocorrelation function in supercooled liquids: Long-time tails and anomalous shear-wave propagation

Phys Rev E. 2016 Dec;94(6-1):060601. doi: 10.1103/PhysRevE.94.060601. Epub 2016 Dec 15.

Abstract

Molecular dynamic simulations are performed to reveal the long-time behavior of the velocity autocorrelation function (VAF) by utilizing the finite-size effect in a Lennard-Jones binary mixture. Whereas in normal liquids the classical positive t^{-3/2} long-time tail is observed, we find in supercooled liquids a negative tail. It is strongly influenced by the transfer of the transverse current wave across the period boundary. The t^{-5/2} decay of the negative long-time tail is confirmed in the spectrum of VAF. Modeling the long-time transverse current within a generalized Maxwell model, we reproduce the negative long-time tail of the VAF, but with a slower algebraic t^{-2} decay.