CONSTRUCTION AND SIMULATION A coarse grained Model for the Simulation of dynamic Properties of filled Elastomers

Von M. Viktorova, R. Hentschke, Wuppertal, H. A. Karimi-Varzane, F. Fleck, F. Taherian, Hannover, Germany 1 min Lesedauer

The mechanical properties of filled elastomers are strongly influenced by the distribution of filler within the polymer matrix. We describe a modelling approach to the calculation of dynamic moduli of filled elastomers based on filler morphologies derived from the experimental interface tensions of the material‘s components.

(a) Left: assembly of nodes including rcut indicated by a circle around the central node. Different colors represent different types of nodes. The pairs of lines vertically drawn on the connecting lines between the central node and its neighbors indicate common interfaces.  Right: mapping of the distribution of nodes onto a topologically equivalent network of springs (some reversibly breakable) and dashpot for dynamical mechanic analysis (DMA).  (b) Left: cut through a composite containing filler (black nodes) inside a polymer matrix (green nodes). Right: a subsystem of the MG generated system sheared during the DMA.  (c) Left: a simulated TEM image, showing filler nodes only. The length of the scale bar in this system containing 20 % vol. carbon black N330 in SBR is about 200 nm. Right: example curve in the stress-strain plane obtained for a filled system. Here ı0 and u0 are the respective amplitudes of stress ı and strain u.(Bild:)
(a) Left: assembly of nodes including rcut indicated by a circle around the central node. Different colors represent different types of nodes. The pairs of lines vertically drawn on the connecting lines between the central node and its neighbors indicate common interfaces. Right: mapping of the distribution of nodes onto a topologically equivalent network of springs (some reversibly breakable) and dashpot for dynamical mechanic analysis (DMA). (b) Left: cut through a composite containing filler (black nodes) inside a polymer matrix (green nodes). Right: a subsystem of the MG generated system sheared during the DMA. (c) Left: a simulated TEM image, showing filler nodes only. The length of the scale bar in this system containing 20 % vol. carbon black N330 in SBR is about 200 nm. Right: example curve in the stress-strain plane obtained for a filled system. Here ı0 and u0 are the respective amplitudes of stress ı and strain u.
(Bild:)

Important macroscopic performance parameters of rubber materials, e.g. rolling resistance or grip in the case of tire tread rubbers, may be correlated, albeit roughly, to the rubber‘s dynamic moduli (e.g. Refs. [1] and [2]). The latter are strongly influenced by the structure and dynamics of the interfaces between the material‘s components. Interfaces are hidden by definition and thus are difficult to study experimentally. Computer simulations, which have proven themselves as useful complement to experiments, are also apt to study the properties of filled nano-composites.