A Thermal Transport Study of Branched Carbon Nanotubes with Cross and T-Junctions

Abstract

This study investigated the thermal transport behaviors of branched carbon nanotubes (CNTs) with cross and T-junctions through non-equilibrium molecular dynamics (NEMD) simulations. A hot region was created at the end of one branch, whereas cold regions were created at the ends of all other branches. The effects on thermal flow due to branch length, topological defects at junctions, and temperature were studied. The NEMD simulations at room temperature indicated that heat transfer tended to move sideways rather than straight in branched CNTs with cross-junctions, despite all branches being identical in chirality and length. However, straight heat transfer was preferred in branched CNTs with T-junctions, irrespective of the atomic configuration of the junction. As branches became longer, the heat current inside approached the values obtained through conventional prediction based on diffusive thermal transport. Moreover, directional thermal transport behaviors became prominent at a low temperature (50 K), which implied that ballistic phonon transport contributed greatly to directional thermal transport. Finally, the collective atomic velocity cross-correlation spectra between branches were used to analyze phonon transport mechanisms for different junctions. Our findings deeply elucidate the thermal transport mechanisms of branched CNTs, which aid in thermal management applications.

Advances and Applications of Carbon Nanotubes

“…In total, twenty-three articles are published on this Topic in the participating journals Nanomaterials, Applied Sciences, and Materials. The presented knowledge embraces numerical simulations [2,[5][6][7][8][9][10][11] and/or experimental data [1,[12][13][14][15][16][17][18][19][20][21][22][23].…”

“…Molecular dynamic simulations have provided deep theoretical insights into the heat transfer mechanisms of branched CNT [5] and improved the tribological features of CNT/vulcanized natural rubber composites for aeronautics [8] and the energy absorption capacity of CNT buckypaper [11]. An additional study [7] used density functional theory to explore the combination of CNT and 2D monolayer germanium selenide (a semiconductor) for potential optoelectronic applications.…”