Increasing the Thermal Conductivity of Graphene-Polyamide-6,6 Nanocomposites by Surface-Grafted Polymer Chains: Calculation with Molecular Dynamics and Effective-Medium Approximation

The Journal of Physical Chemistry. B
Yangyang Gao, Florian Müller-Plathe

Abstract

By employing reverse nonequilibrium molecular dynamics simulations in a full atomistic resolution, the effect of surface-grafted chains on the thermal conductivity of graphene-polyamide-6.6 (PA) nanocomposites has been investigated. The interfacial thermal conductivity perpendicular to the graphene plane is proportional to the grafting density, while it first increases and then saturates with the grafting length. Meanwhile, the intrinsic in-plane thermal conductivity of graphene drops sharply as the grafting density increases. The maximum overall thermal conductivity of nanocomposites appears at an intermediate grafting density because of these two competing effects. The thermal conductivity of the composite parallel to the graphene plane increases with the grafting density and grafting length which is attributed to better interfacial coupling between graphene and PA. There exists an optimal balance between grafting density and grafting length to obtain the highest interfacial and parallel thermal conductivity. Two empirical formulas are suggested, which quantitatively account for the effects of grafting length and density on the interfacial and parallel thermal conductivity. Combined with effective medium approximation, for un...Continue Reading

References

Dec 12, 2001·Physical Review Letters·P KimP L McEuen
Nov 29, 2005·Journal of Chemical Information and Modeling·Konstantin B Tarmyshov, Florian Müller-Plathe
Jun 28, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Dmitry Bedrov, Grant D Smith
Jul 21, 2006·The Journal of Physical Chemistry. B·Meimei ZhangFlorian Müller-Plathe
Sep 11, 2007·The Journal of Physical Chemistry. B·Enrico LussettiFlorian Müller-Plathe
Nov 17, 2007·Nano Letters·Daniel GunlyckeCarter T White
Feb 21, 2008·Nano Letters·Alexander A BalandinChun Ning Lau
Jan 9, 2010·The Journal of Physical Chemistry. B·Hossein Eslami, Florian Müller-Plathe
Mar 12, 2010·ACS Nano·Clement FaugerasA K Geim
Apr 10, 2010·Science·Jae Hun SeolLi Shi
May 11, 2010·Nature Materials·Suchismita GhoshAlexander A Balandin
Jul 12, 2011·The Journal of Physical Chemistry. B·Hossein Eslami, Florian Müller-Plathe
Jun 16, 2012·Journal of Molecular Modeling·Lin Wang, Huai Sun
Sep 15, 2012·ACS Nano·Jeong Yun KimJeffrey C Grossman
Dec 11, 2013·The Journal of Chemical Physics·Mohammad Reza Gharib-ZahediMohammad Alaghemandi

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Citations

Dec 14, 2018·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yang KangBingcheng Si
Dec 5, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Xue-Kun Chen, Ke-Qiu Chen

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