787 citations · 5.7k across the 86 of their papers we have counts for
5 papers · 1 filter
Thermal expansion in carbon nanotubes and graphene: nonequilibrium Green's function approach
Jin-Wu Jiang, Jian-Sheng Wang, Baowen Li
The nonequilibrium Green's function method is applied to investigate the coefficient of thermal expansion (CTE) in single-walled carbon nanotubes (SWCNT) and graphene. It is found…
Edge states induce boundary temperature jump in molecular dynamics simulation of heat conduction
Jin-Wu Jiang, Jie Chen, Jian-Sheng Wang +1
We point out that the origin of the commonly occurred boundary temperature jump in the application of Nośe-Hoover heat bath in molecular dynamics is related to the edge modes, whic…
Molecular dynamics with quantum heat baths: results for nanoribbons and nanotubes
Jian-Sheng Wang, Xiaoxi Ni, Jin-Wu Jiang
A generalized Langevin equation with quantum baths (QMD) for thermal transport is derived with the help of nonequilibrium Green's function (NEGF) formulation. The exact relationshi…
Young's modulus of Graphene: a molecular dynamics study
Jin-Wu Jiang, Jian-Sheng Wang, Baowen Li
The Young's modulus of graphene is investigated through the intrinsic thermal vibration in graphene which is `observed' by molecular dynamics, and the results agree quite well with…
Thermal conductance of graphene and dimerite
Jin-Wu Jiang, Jian-Sheng Wang, Baowen Li
We investigate the phonon thermal conductance of graphene regarding the graphene sheet as the large-width limit of graphene strips in the ballistic limit. We find that the thermal…