2006/05/01 by Jian‐Sheng Wang, Jian-Sheng Wang, Jian Wang +1 · 9 citations
Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Thermal Radiation and Cooling Technologies #Thermal properties of materials #cond-mat.mes-hall
paper · pdf · doi:10.1103/physrevb.74.033408
published as Phys. Rev. B 74, 033408 (2006) · 4 pages, 4 figures
arxiv created 2006/05/01 · openalex publication_date 2006/07/19 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principles approach is applied to the calculation of the thermal conductance in a one-dimensional chain and carbon nanotube junctions. It is shown that nonlinearity already becomes important at low temperatures. Nonlinear interactions greatly suppress phonon transmission at room temperature. The peak of thermal conductance is found to be around 400\phantom\rule0.3em0exK, in good agreement with experiments. High-order phonon scattering processes are important for diffusive heat transport.