2 papers
cond-mat.mtrl-sci2004
Thermal conduction of carbon nanotubes using molecular dynamics
Zhenhua Yao, Jian-Sheng Wang, Baowen Li +1
The heat flux autocorrelation functions of carbon nanotubes (CNTs) with different radius and lengths is calculated using equilibrium molecular dynamics. The thermal conductance of…
physics.comp-ph2003
Improved neighbor list algorithm in molecular simulations using cell decomposition and data sorting method
Zhenhua Yao, Jian-Sheng Wang, Gui-Rong Liu +1
An improved neighbor list algorithm is proposed to reduce unnecessary interatomic distance calculations in molecular simulations. It combines the advantages of Verlet table and cel…