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cond-mat.mtrl-sci2009★ 52 cited
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…
cond-mat.mtrl-sci2009★ 439 cited
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…
cond-mat.mtrl-sci2008★ 58 cited
Thermal rectifier from deformed carbon nanohorns
Gang Wu, Baowen Li
We study thermal rectification in single-walled carbon nanohorns (SWNHs) by using non-equilibrium molecular dynamics (MD) method. It is found that the horns with the bigger top ang…