Modeling of cross-plane interface thermal conductance between graphene nano-ribbons

V Varshney and J Lee and BL Farmer and AA Voevodin and AK Roy, 2D Materials, 1, 025005 (2014).

DOI: 10.1088/2053-1583/1/2/025005

Using non-equilibrium molecular dynamics for thermal energy transfer, we investigate the interfacial thermal conductance between non-covalently interacting graphene nano-ribbons (GNRs) of varying lengths and widths in a cross-contact (x-shaped) geometry. Our results show that the out- of-plane conductance between GNRs can vary significantly (up to a factor of 4) depending upon their geometric parameters. We observe that when plotted against aspect ratio, the predicted interface thermal conductance values fit excellently on a single master-plot with a logarithmic scaling, suggesting the importance of GNR aspect ratio towards thermal conductance. We propose a model based on incorporating different thermal conductance characteristics of edge and inner interacting regions which predicts the observed logarithmic dependence on aspect ratio. We also study the effect of graphene edge roughness, temperature, and strain on out-of-plane thermal conductance and discuss the observed results based on local vibrational characteristics of atoms within interacting region, number of interacting phonons, and the degree to which they interact across the interaction zone.

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