439 citations · 620 across the 3 of their papers we have counts for
4 papers · 1 filter
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…
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…
A lattice dynamical treatment for the total potential energy of single-walled carbon nanotubes and its applications: relaxed equilibrium structure, elastic properties, and vibrational modes of ultra-narrow tubes
Jin-Wu Jiang, Hui Tang, Bing-Shen Wang +1
In this paper, we proposed a lattice dynamic treatment for the total potential energy for single-walled carbon nanotubes (SWCNT's) which is, apart from a parameter for the non-line…