The molecular dynamics study of aluminum nanoparticles effect on the atomic behavior of argon atoms inside zigzag nanochannel

Abstract

Aluminum (Al) nanoparticles effects on the atomic behavior of Argon (Ar) fluid inside the zigzag nanochannel are described in this study. For this purpose, Molecular Dynamics (MD) approach is used with a LAMMPS package. Computationally, Ar base fluid and Ar–Al nanofluid is modeled with Universal Force Field (UFF) and Embedded Atom Model (EAM). Total energy, density, velocity, and temperature profiles for the atomic behavior of base fluid/nanofluid are presented. Results show that the Al nanoparticles cause increasing of the density, velocity, and temperature profiles value to 0.106 atom/Å3, 0.044 Å/ps, and 551.02 K, respectively. So we conclude the Al nanoparticles adding to Ar atoms in non-ideal (zigzag) nanochannel can change atomic behavior of the base fluid effectively and optimize the Ar performance for heat/mass transfer applications.