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.
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14 December 2017
Research Article|
December 12 2017
Connectedness percolation of hard deformed rods
Tara Drwenski
;
Tara Drwenski
a)
1
Institute for Theoretical Physics, Center for Extreme Matter and Emergent Phenomena, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Simone Dussi
;
Simone Dussi
2
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Marjolein Dijkstra;
Marjolein Dijkstra
2
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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René van Roij
;
René van Roij
1
Institute for Theoretical Physics, Center for Extreme Matter and Emergent Phenomena, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Paul van der Schoot
Paul van der Schoot
b)
1
Institute for Theoretical Physics, Center for Extreme Matter and Emergent Phenomena, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
3
Theory of Polymers and Soft Matter, Eindhoven University of Technology
, P.O. Box 513, 5600 MB Eindhoven, The Netherlands
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a)
Electronic mail: t.m.drwenski@uu.nl
b)
Electronic mail: p.p.a.m.v.d.schoot@tue.nl
J. Chem. Phys. 147, 224904 (2017)
Article history
Received:
September 25 2017
Accepted:
November 27 2017
Citation
Tara Drwenski, Simone Dussi, Marjolein Dijkstra, René van Roij, Paul van der Schoot; Connectedness percolation of hard deformed rods. J. Chem. Phys. 14 December 2017; 147 (22): 224904. https://doi.org/10.1063/1.5006380
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