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25 April 2024
 
  » arxiv » cond-mat/0701164

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Nonequilibrium Green's function method for thermal transport in junctions
Jian-Sheng Wang ; Nan Zeng ; Jian Wang ; Chee Kwan Gan ;
Date 9 Jan 2007
Subject Statistical Mechanics
AbstractWe 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. We find that nonlinearity suppresses thermal transport even at moderately high temperatures.
Source arXiv, cond-mat/0701164
Other source [GID 651818] pmid17677241
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