We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behavior of the thermal conductivity as a function of the system length is investigated, using Green's function techniques to compute the transmission across the system. The method is implemented using linear scaling algorithms, which allows us to reach systems of lengths up to $L=2.5μ$m (with up to 400,000 atoms). As for 1D systems, it is observed that the conductivity diverges with the system size $L$. We also observe a dramatic decrease of the thermal conductance for systems of experimental sizes (roughly 80% at room temperature for $L = 2.5$ $μ$m), when a large fraction of isotopic disorder is introduced. The results obtained with Green's function techniques are compared to results obtained with a Boltzmann description of thermal transport. There is a good agreement between both approaches for systems of experimental sizes, even in presence of Anderson localization. This is particularly interesting since the computation of the transmission using Boltzmann's equation is much less computationally expensive, so that larger systems may be studied with this method.
Warsaw University of Technology（华沙理工大学）；Lublin University of Technology（卢布林理工大学）；BCMaterials, Basque Center for Materials, Applications and Nanostructures, UPV/EHU Science Park（BCMaterials，巴斯克材料、应用和纳米结构中心，UPV/EHU科学园）；Ikerbasque, Basque Foundation for Science（Ikerbasque，巴斯克科学基金会）；Cranfield University（克兰菲尔德大学）
A Reactive Molecular Dynamics Study on the Mechanical Properties of a Recently Synthesized Amorphous Carbon Monolayer Converted into a Nanotube/Nanoscroll
University of Brasília（巴西利亚大学）；University of Campinas（坎皮纳斯大学）
