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|Title:||Nonequilibrium Green's function method for thermal transport in junctions|
|Authors:||Wang, J.-S. |
|Source:||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|
|Appears in Collections:||Staff Publications|
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