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
