... are reported in this work by using molecular dynamics method. Findings The results show that nanochannel roughness is a limiting factor in flowing fluid in nanochannel. Moreover, fluids with less atomic weight have more free movement in ideal and non-ideal nanochannels. Originality/value For the study...

... of the molecular transport. Design/methodology/approach Molecular dynamics simulation is used to examine the oxygen transport characteristics in the electrolyte membrane of PEMFC that we have experimentally observed in our previous study. Findings Molecular dynamics simulation well predicts the diffusion...

...Dr Hong-Yan Liu and Dr Ji-Huan He; Fubing Bao; Zhihong Mao; Limin Qiu Purpose – The purpose of this paper is to investigate the gas flow characteristics in near wall region and the velocity slip phenomenon on the wall in nano-channels based on the molecular dynamics simulation. Design...

...H. Xue; C. Shu This investigation deals with the equilibration of heat conduction simulation in a very thin film using molecular dynamics. Two parameters, the positional order parameter and the kinetic H‐function, are employed simultaneously to monitor the evolution to the equilibrium...