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Thermal transport in 3D pillared SWCNT–graphene nanostructures

Published online by Cambridge University Press:  21 January 2013

Jungkyu Park  and
Vikas Prakash
Jungkyu Park*
Affiliation:
Department of Mechanical and Aerospace Engineering, Case Western Reserve University, Cleveland, OH 44106-7222
Vikas Prakash*
Affiliation:
Department of Mechanical and Aerospace Engineering, Case Western Reserve University, Cleveland, OH 44106-7222
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

We present results of a molecular dynamics study using adaptive intermolecular reactive empirical bond order interatomic potential to analyze thermal transport in three-dimensional pillared single-walled carbon nanotube (SWCNT)–graphene superstructures comprised of unit cells with graphene floors and SWCNT pillars. The results indicate that in-plane as well as out-of-plane thermal conductivity in these superstructures can be tuned by varying the interpillar distance and/or the pillar height. The simulations also provide information on thermal interfacial resistance at the graphene–SWCNT junctions in both the in-plane and out-of-plane directions. Among the superstructures analyzed, the highest effective (based on the unit cell cross-sectional area) in-plane thermal conductivity was 40 W/(m K) with an out-of-plane thermal conductivity of 1.0 W/(m K) for unit cells with an interpillar distance Dx = 3.3 nm and pillar height Dz = 1.2 nm, while the highest out-of-plane thermal conductivity was 6.8 W/(m K) with an in-plane thermal conductivity of 6.4 W/(m K) with Dx = 2.1 nm and Dz= 4.2 nm.

Keywords

thermal conductivitynanostructuresimulation
Type
Articles
Information
Journal of Materials Research , Volume 28 , Issue 7: Focus Issue: De Novo Carbon Nanomaterials: Opportunities and Challenges in a Flat World , 14 April 2013 , pp. 940 - 951
Copyright
Copyright © Materials Research Society 2013

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