Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: C1.00096 : Deformation and fracture of Coarse-grained Model of Filled Rubber Composites
Author:
We presented a result of coarse-grained Molecular Dynamics
simulation of filled polymer melts with Sulfur-crosslink under
deformation based on the Kremer-Grest Model. Under uni-axial
deformation (extension) by setting Poisson's ratio to less
than 0.5, facture of this polymer nanocomoposites occurs due to
volume increase for increasing the strain. In order to study
facture behavior, we use the original Lennard Jones potential
formula (with attractive part) as interaction between polymers.
The size of simulation box under periodic boundary conditions
(PBC) is set to about 133nm. We put 2048 fillers, 5120 polymer
chains of 1024 particles, and many crosslink into the PBC box.
Due to the crosslink, all polymer chains are connected to one
network gel. One filler consists of 320 particles of the C320
fullerene structure. A repulsive force from the center of the
filler is applied to the particles of C320 in order to make a
sphere whose diameter is about 7nm. We can observe the fracture
occurs due to void created near surface of fillers for the case
that interaction between polymer and filler is relatively non-
attractive. Various cases of Poisson's ratio and interaction
between polymer and filler are examined.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.C1.96
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