Hydrodynamic and thermal flow in nanochannel to study effects of roughness by estimation the atoms positions via MD method

Abstract

Purpose This paper aims to investigate atoms type and channel roughness effects on fluid behavior in nanochannel. Design/methodology/approach The results of mechanical properties of these structures 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 mechanical properties of fluid/nanochannel system, the authors calculated parameters such as potential energy, density, temperature and velocity profiles of simulated fluids.