Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevE.75.061128
Title: Nonequilibrium Green's function method for thermal transport in junctions
Authors: Wang, J.-S. 
Zeng, N.
Wang, J. 
Gan, C.K.
Issue Date: 28-Jun-2007
Citation: Wang, J.-S., Zeng, N., Wang, J., Gan, C.K. (2007-06-28). Nonequilibrium Green's function method for thermal transport in junctions. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 75 (6) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevE.75.061128
Abstract: We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are derived. A self-consistent mean-field theory is proposed. Computational procedures are discussed. The method is applied to a number of systems including one-dimensional chains, a benzene ring junction, and carbon nanotubes. Mean-field calculations of the Fermi-Pasta-Ulam model are compared with classical molecular dynamics simulations using a generalized Langevin heat bath. We find that nonlinearity suppresses thermal transport even at moderately high temperatures. © 2007 The American Physical Society.
Source Title: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/97337
ISSN: 15393755
DOI: 10.1103/PhysRevE.75.061128
Appears in Collections:Staff Publications

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