Published in

American Institute of Physics, The Journal of Chemical Physics, 20(143), p. 204502, 2015

DOI: 10.1063/1.4936358

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Multi-scale lattice Boltzmann and mode-coupling theory calculations of the flow of a glass-forming liquid

Journal article published in 2015 by S. Papenkort, T.-H. Voigtmann ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

We present a hybrid-lattice Boltzmann (LB) algorithm for calculating the flow of glass-forming fluids that are governed by integral constitutive equations with pronounced nonlinear, non-Markovian dependence of the stresses on the flow history. The LB simulation for the macroscopic flow fields is combined with the mode-coupling theory of the glass transition (MCT) as a microscopic theory, in the framework of the integration-through transients (ITT) formalism. Using the combined LB-MCT algorithm, pressure-driven planar channel flow is studied for a schematic MCT model neglecting spatial correlations in the microscopic dynamics. The cessation dynamics after removal of the driving pressure gradient shows strong signatures of oscillatory flow both in the macroscopic fields and the microscopic correlation functions.