Molecular dynamics simulation of Water-Copper nanofluid flow in a three-dimensional nanochannel with different types of surface roughness geometry for energy economic management

In this paper, numerical simulation of Water-Copper nanofluid flow in a three-dimensional nanochannel with different types of surface roughness geometry using Molecular dynamics simulation (MDS) is performed. NVT ensemble is used to keep the particle number, volume, and temperature constant in the simulated system. The results show that as the volume fraction of nanoparticles (phi) increases, an increase in the amplitude of the fluctuations was observed. Also, the maximum velocity decreases, but there is no particular change in the amount of slip velocity. Increasing external force as well as reducing the surface roughness somehow increases the mean velocity. (C) 2020 Elsevier B.V. All rights reserved.