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

Papenkort, S. and Voigtmann, Th. (2015) Multi-scale lattice Boltzmann and mode-coupling theory calculations of the flow of a glass-forming liquid. Journal of Chemical Physics, 143, p. 204502. American Institute of Physics (AIP). DOI: 10.1063/1.4936358 ISSN 0021-9606

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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.

Item URL in elib:https://elib.dlr.de/99940/
Document Type:Article
Title:Multi-scale lattice Boltzmann and mode-coupling theory calculations of the flow of a glass-forming liquid
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Papenkort, S.simon.papenkort (at) dlr.deUNSPECIFIED
Voigtmann, Th.thomas.voigtmann (at) dlr.deUNSPECIFIED
Date:2015
Journal or Publication Title:Journal of Chemical Physics
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:143
DOI :10.1063/1.4936358
Page Range:p. 204502
Publisher:American Institute of Physics (AIP)
ISSN:0021-9606
Status:Published
Keywords:lattice Boltzmann simulation, computational fluid dynamics, mode coupling theory, non-Newtonian rheology, multi-scale simulations
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Research under Space Conditions
DLR - Research area:Raumfahrt
DLR - Program:R FR - Forschung unter Weltraumbedingungen
DLR - Research theme (Project):R - Vorhaben Materialwissenschaftliche Forschung (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space
Deposited By: Voigtmann, Dr.rer.nat. Thomas
Deposited On:03 Dec 2015 08:21
Last Modified:08 Mar 2018 18:42

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