Two-phase solid/liquid mixture of water/carbon nanotubes at the equilibration phase of atomic structures: Atomic value effects in a microchannel using the molecular dynamics method

M Naderi and A Karimipour, JOURNAL OF MOLECULAR LIQUIDS, 339, 116820 (2021).

DOI: 10.1016/j.molliq.2021.116820

Carbon nanotube (CNT) effects on H2O (basefluid) are described in our computational study. Molecular Dynamics (MD) method are used in our study with a LAMMPS simulation package. Technically, H2O/CNT nanofluid simulated with DREIDING and Tersoff force fields in which this selection is appropriate for the atomic study of these structures. For the atomic manner of H2O/CNT nanofluid, we reported quantities, such as total temperature, energy, atomic density, atomic velocity, and atomic temperature profiles of the simulated nanofluid. The nanoparticles cause the phase change in lower simulation time steps. Numerically, this phenomenon time varies from 701,000 to 512000-time steps when CNT nanoparticles are added to H2O base fluid. Additionally, this nanoparticle causes to increase the density, velocity, and maximum temperature values. Our calculations indicate that CNT nanoparticles affect the base fluid physical properties and can be used for thermal conductance procedures with high efficiency. (C) 2021 Elsevier B.V. All rights reserved.

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