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@INPROCEEDINGS{Briels:280513,
author = {Briels, Willem},
title = {{M}esoscopic modelling of flowing complex matter, memory
and {G}alilean invariant {B}rownian {D}ynamics},
reportid = {FZJ-2016-00281},
year = {2015},
abstract = {Complex soft matter usually consists of large molecules
with extremely many degrees of freedom. In this talk we are
especially interested in molecules which interact with many
neighboring particles, typically in the order of a few
hundreds. Typical examples are star polymers whose arms mix
with those of neighboring stars, or even entangle with them
in the rheological sense when they are sufficiently long.
Other example are systems of tri-block-copolymers of which
the middle block is solvophillic and the two outer blocks
are solvophobic. Such polymers will arrange their
solvophobic parts into micelles, with the solvophillic inner
blocks dangling around them. At high concentrations the
solvophilic middle blocks may form bridges from one micelle
to another, thereby forming transient networks.When set into
shearing motion, particles will displace with respect to
each other, and their internal structure will be disrupted.
The typical time scale for rupture and re-establishing of
this structure will give rise to long time processes
strongly interacting with the externally imposed motion.
These long time processes may of course be studied by models
including all the relevant small scale information of the
molecules. When coarse graining the molecules this
possibility gets lost and the long time processes must be
introduced as memory into the dynamics of the coarse
objects. In this presentation I will present a way to do
this, which is still computationally efficient. After
presenting the general concept and some examples, I will
address shortcomings of the present implementation of the
model and suggest possible ways to solve the problems.In the
last part of the presentation I will present a way to
generalize Brownian Dynamics to a Galilei invariant
simulation scheme. As is well known this can be done by
adding to the displacements of the particles affine
contributions due to the average flow in the neighborhoods
of the particles. The challenge is to devise a model to
calculate these average flows as they develop in response to
the perturbations at the boundaries of the system. I will
demonstrate how this can be done and pay attention to
differences between this method and the traditional Brownian
Dynamics codes. In particular in strongly sheared systems
the traditional Brownian Dynamics method doesn’t seem very
realistic.},
month = {Sep},
date = {2015-09-01},
organization = {Workshop on Self-Assembly in Soft
Matter, Patras (Greece), 1 Sep 2015 - 2
Sep 2015},
subtyp = {Invited},
cin = {ICS-3},
cid = {I:(DE-Juel1)ICS-3-20110106},
pnm = {551 - Functional Macromolecules and Complexes (POF3-551)},
pid = {G:(DE-HGF)POF3-551},
typ = {PUB:(DE-HGF)31},
url = {https://juser.fz-juelich.de/record/280513},
}