Substantial reduction of thermal conductivity of defected carbon nanotubes

ORAL

Abstract

The influence of the structural details and defects on the thermal transport properties of carbon nanotubes (CNTs) are explored by molecular dynamics and real-space Kubo methodologies. A variety of randomly oriented and distributed defects, (mono- and di-vacancies, Stone Wales defects) on lattice thermal conductivity and anharmonic phonon mean free paths are studied for model systems in sizes up to 1000 nm. Substantial reduction in thermal conductivity, up to $\sim $80{\%} reduction compared to the pristine CNTs, is observed for $\sim $0.5$\backslash ${\%} defect concentrations. Additionally, nearly the same saturation value of lattice thermal conductivity for CNTs with different type of defects is predicted.

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Authors

  • Cem Sevik

    Artie McFerrin Dept of Chemical Engineering, Laboratory of Computational Engineering of Nanomaterials Texas A\&M University, College Station, TX, Artie McFerrin Department of Chemical Engineering, Texas A\&M University, College Station, TX, Texas A\&M University

  • Haldun Sevincli

    Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology, 01062 Dresden, Germany

  • Justin B. Haskin

    Artie McFerrin Dept of Chemical Engineering, Laboratory of Computational Engineering of Nanomaterials Texas A\&M University, College Station, TX

  • Alper Kinaci

    Artie McFerrin Dept of Chemical Engineering, Laboratory of Computational Engineering of Nanomaterials Texas A\&M University, College Station, TX

  • Gianaurelio Cuniberti

    Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology, 01062 Dresden, Germany

  • Tahir Cagin

    Artie McFerrin Dept of Chemical Engineering, Laboratory of Computational Engineering of Nanomaterials Texas A\&M University, College Station, TX, Artie McFerrin Department of Chemical Engineering, Texas A\&M University, College Station, TX, Texas A\&M University