Connectedness percolation of hard deformed rods

Publication date

2017-12-14

Authors

Drwenski, T.M.ISNI 0000000505992974
Dussi, SimoneISNI 0000000436401359
Dijkstra, MarjoleinISNI 0000000358257928
Roij, René vanISNI 0000000392993654
van der Schoot, PaulISNI 0000000389454246

Editors

Advisors

Supervisors

Document Type

Article
Open Access logo

License

taverne

Abstract

Nanofiller particles, such as carbon nanotubes or metal wires, are used in functional polymer composites to make them conduct electricity. They are often not perfectly straight cylinders but may be tortuous or exhibit kinks. Therefore we investigate the effect of shape deformations of the rod-like nanofillers on the geometric percolation threshold of the dispersion. We do this by using connectedness percolation theory within a Parsons-Lee type of approximation, in combination with Monte Carlo integration for the average overlap volume in the isotropic fluid phase. We find that a deviation from a perfect rod-like shape has very little effect on the percolation threshold, unless the particles are strongly deformed. This demonstrates that idealized rod models are useful even for nanofillers that superficially seem imperfect. In addition, we show that for small or moderate rod deformations, the universal scaling of the percolation threshold is only weakly affected by the precise particle shape.

Keywords

Monte Carlo methods, Nanomaterials, Interatomic potentials, Euclidean geometries, Nuclear structure models, Taverne

Citation

Drwenski, T, Dussi, S, Dijkstra, M, van Roij, R & van der Schoot, P 2017, 'Connectedness percolation of hard deformed rods', Journal of Chemical Physics, vol. 147, no. 22, 224904. https://doi.org/10.1063/1.5006380