Thermal boundary resistance at the graphene-oil interface

Abstract

In this work, using molecular dynamics simulations, we demonstrate that it is possible to significantly reduce the Kapitza resistance [P. L. Kapitza, J. Phys. (USSR) 4, 181 (1941)] at the graphene sheet-liquid octane interface by appropriately functionalizing the graphene sheets. The key concept is that the functional groups, to be effective, must show vibrational modes compatible with those of the organic matrix. Because functionalizing graphene sheets at their edges should not compromise their exceptional intrinsic thermal-transport properties, our results suggest a practical recipe for manufacturing high-thermal-transport polymeric nanocomposites.

Graphene–Multilayer Graphene Nanocomposites as Highly Efficient Thermal Interface Materials

“…The best match with experiment is attained at R B =3.5×10 -9 Km 2 W -1 . This value is small and consistent with the molecular dynamics (MD) simulations [29]. Our own calculations indicate that for higher R B , TCE does not increase with f linearly but starts to saturate.…”

Graphene Thermal Properties: Applications in Thermal Management and Energy Storage

“…Enhancements of up to K/Km ≈ 360 have been reported for a graphene loading of 5% [135]. The exceptionally strong anisotropic increase in K was attributed to graphene's planar geometry and good coupling to the octane molecules [135][136][137]. The heat carrying phonon modes excited in graphene coupled well to those in the organic molecules of the matrix material.…”

Thermal Boundary Resistance Effects in Carbon Nanotube Composites

“…It has been reported that the overlap of the thermal vibrational spectra between two materials is the key point to control the Kapitza resistance at the interface [54][55][56][57]. Varshney et al [58] studied the effect of different organic linkers -connecting the two nanotubes -on the thermal interface conductance using nonequilibrium molecular dynamics (MD) simulations.…”

“…This result gives rise to the expectation that GS composites might be able to fulfill the promise of thermally conductive carbon-based nanocomposites. Konatham and Striolo [55,56] calculated TBR at the GS-octane interface and found that it is three times smaller than SWNT-octane interface. Furthermore, when the alkane chains are covalently bonded at the edges of these GSs, the value of TBR in that case was reported to be 10 times smaller than that at a single-walled CNT-octane interface.…”