Thermal rectification in carbon nanotube intramolecular junctions: Molecular dynamics calculations

2007/07/28 by Gang Wu, Baowen Li · 5 citations
Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Graphene research and applications #Thermal properties of materials #cond-mat.mes-hall #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.76.085424

published as Phys. Rev. B 76, 085424 (2007)

arxiv created 2007/07/28 · openalex publication_date 2007/08/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We study heat conduction in (n,0)∕(2n,0) intramolecular junctions by using molecular dynamics method. It is found that the heat conduction is asymmetric, namely, heat transports preferably in one direction. This phenomenon is also called thermal rectification. The rectification is weakly dependent on the detailed structure of connection part but is strongly dependent on the temperature gradient. We also study the effect of the tube radius and intramolecular junction length on the rectification. Our study shows that the tensile stress can increase rectification. The physical mechanism of the rectification is explained.

Citations

• Canonical dynamics: Equilibrium phase-space distributions
• Nanoscale thermal transport

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