Numerical study of obstacle effect on atomic behavior of argon fluid flow inside a nanochannel with molecular dynamics approach

Abstract

Various fluids are implemented for mass/heat transfer procedures in industrial applications. These structures' behavior inside the metallic nanochannels (NCs) in the presence of the obstacle was described. To this end, the Molecular Dynamics Simulation (MDS) is performed using the LAMMPS package. The various atomic forces in defined structures are defined using Universal Force Field (UFF) and Embedded Atom Model (EAM). In addition, physical parameters such as temperature (T), potential energy (PE), Radial Distribution Function (RDF), profiles of density (D)/velocity(V)/T, position histogram, trajectory lines, and interaction energy are reported for description of nanofluid (NF) flow. MDS results display the equilibrium of Ar (as fluid) and Pt (as NC) in the presence of obstacles after t = 20 ns. Also, our simulations predict that the obstacles increase/decrease the average values of fluid adsorption/mobility inside the NC.