Investigation of thermal transport properties in pillared-graphene structure using nonequilibrium molecular dynamics sim
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Research Letter
Investigation of thermal transport properties in pillared-graphene structure using nonequilibrium molecular dynamics simulations Khaled Almahmoud, Mechanical and Energy Engineering Department, University of North Texas, Denton, TX 76207, USA Thiruvillamalai Mahadevan, Materials Science and Engineering Department, University of North Texas, Denton, TX 76207, USA Nastaran Barhemmati-Rajab , Mechanical and Energy Engineering Department, University of North Texas, Denton, TX 76207, USA Jincheng Du, Materials Science and Engineering Department, University of North Texas, Denton, TX 76207, USA Huseyin Bostanci, Engineering Technology Department, University of North Texas, Denton, TX 76207, USA Weihuan Zhao, Mechanical and Energy Engineering Department, University of North Texas, Denton, TX 76207, USA Address all correspondence to Weihuan Zhao at [email protected] (Received 19 May 2020; accepted 27 July 2020)
Abstract This research focuses toward calculating the thermal conductivity of pillared-graphene structures (PGS). PGS consists of graphene and carbon nanotubes (CNTs). These two materials have great potential to manage heat generated by nano- and microelectronic devices because of their superior thermal conductivities. However, the high anisotropy limits their performance when it comes to three-dimensional heat transfer. Nonequilibrium molecular dynamics (NEMD) simulations were conducted to study thermal transport of PGS. The simulation results suggest that the thermal conductivity along the graphene plane can reach up to 284 W/m K depending on PGS’ parameters while along the CNT direction, the thermal conductivity can reach 20 W/m K.
Introduction Over the past few decades, the size of transistors has been exponentially shrinking. The positive side of this advancement is achieving higher computational speeds. The negative side, however, is the amount of heat generated on the device level because of the high transistors packing density.[1–4] The issue of heat in these electronic devices has been the focus of researchers because of two reasons: (i) high temperatures in electronics hinder their performance and (ii) heat affects the lifespan of electronics. These two factors sparked the interest of researchers in trying to tailor materials that can dissipate heat rapidly. For this purpose, graphene and carbon nanotubes (CNTs) have been the choice of researchers since the two carbon allotropes exhibit superior high thermal conductivities.[1–5] These materials consist of C–C bonds that are stiff and strong, which results in high phonon velocities.[1,5] Pillared-graphene structure (PGS) is proposed to overcome the anisotropy issue in graphene and CNT.[1,5] This, in turn, is because of the van-der-Waals interactions in the transverse direction in these two allotropes. The fundamental concept of PGS is based on utilizing CNT, a one-dimensional (1D) carbon allotrope, as interconnects between graphene sheets, and each of which is a two-dimensional (2D) material.[1,5] Another reason that made these two allot
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