Molecular dynamics simulation of phase transition procedure of water-based nanofluid flow containing CuO nanoparticles

With recent technological advances in nanotechnology, solid particles in nanometer dimensions are being produced. Researchers have created a new nanofluid (NF) fluid with excellent thermal properties using these nanoparticles (NPs). This study examines the influence of the CuO NPs' length on the atomic conduct and phase transition duration of water-based fluid in a nanochannel with Cu walls using molecular dynamics simulation (MDS). The outcomes show that the phase transition duration decreases by adding CuO NP in the simulated base fluid (BF). Numerically, the phase transition duration decreased from 6.78 ns to 6.01 ns by adding CuO NPs with a 1.5 nm length. As the length of CuO NPs enhances from 1.5 to 5 nm, the phase transition duration decrease to 4.33 ns. Also, increasing the length of NPs to 5 nm leads to a decrease in the total energy (TE) from -44924.5 to -64214.3 eV. Finally, it was found that the highest density of BF/NF was detected in final and initial bins with 0.0187/0.01944 atom/angstrom(3) values. Also, the maximum velocity and temperature (T) of BF/NF were detected in middle-bins with 0.0011/0.0021 angstrom/fs and 688.25/753.69 K values. This atomic evolution shows that the CuO NPs have appropriate performance in the phase transition procedure. (C) 2022 THE AUTHORS. Published by Elsevier BV on behalf of Faculty of Engineering, Alexandria University

Automated summary

This study investigates the impact of CuO nanoparticles on the atomic conduct and phase transition duration of water-based fluid in a nanochannel. The results indicate that adding CuO nanoparticles reduces the phase transition duration, and the effect becomes more pronounced with increasing nanoparticle length.