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  • Investigating the effect of...
    Ali Akbari, Omid; Saghafian, Mohsen; Shirani, Ebrahim

    Journal of molecular liquids, 09/2023, Volume: 386
    Journal Article

    •This paper investigates the molecular dynamics behavior of argon Poiseuille flow in copper nanochannels.•This study explores the combined existence of obstacles on the surface and in the regions above the surface of the nanochannel wall.•The aim is to examine the velocity, density, and temperature fields, as well as the heat flux and thermal conductivity coefficient, by utilizing the LAMMPS software.•The number density of argon atoms displays relatively intense fluctuations when obstacles are present near the nanochannel walls.•The maximum heat transfer, compared to a smooth nanochannel, reaches 72 percent, which occurs with an increase in the number of obstacles in the nanochannel. This study investigates the molecular dynamics behavior of argon Poiseuille flow in copper nanochannels with two-dimensional geometry (with two solid walls) and three-dimensional geometry (with four solid walls) utilizing the LAMMPS software. This study explores the combined existence of obstacles on the surface (with index R) and in the regions above the surface of the nanochannel wall (with index P) at varying numbers, along with applying an external force in the flow direction. The aim is to examine the velocity, density, and temperature fields, as well as the heat flux and thermal conductivity coefficient for 10,000 time steps, using the hybrid Lennard-Jones Embedded Atom Method (EAM) potential function. The findings of this study suggest that alterations in wall and fluid temperature, the impact of wall force, and the existence of obstacles have noteworthy impacts on flow parameter behavior. The fluctuations in fluid temperature, density, velocity, and thermal conductivity coefficient are influenced by modifications in the kinetic behavior of flowing atoms resulting from the collision and atomic diffusion mechanism. The number density of argon atoms displays relatively intense fluctuations when obstacles are present near the nanochannel walls. However, the fluctuations are comparatively lower compared to the case without obstacles. Conversely, placing an obstacle inside an ideal nanochannel reduces the amplitude of fluid atoms' motion fluctuations in the proximity of the walls. Compared to a smooth nanochannel, the maximum heat transfer reaches 72 percent, which occurs with an increase in the number of obstacles in the nanochannel. In conclusion, the presence of P-structured obstacles in the two-dimensional nanochannel leads to a 2.8-fold surge in the thermal conductivity coefficient compared to a smooth nanochannel of the external force.