Session: K20-05: APPLICATIONS OF COMPUTATIONAL HEAT TRANSFER III

Paper Number: 130958

130958 - A Reproducible Molecular Dynamics Approach to Investigate the Thermal Conductivity of Al2O3 Mono Nanofluid 

Abstract: 

Water-based Al₂O₃ mono nanofluid (MNF) is considered as a potential thermo-fluid for advanced cooling systems and energy storage due to its hydrophilic nature and enhanced dispersion stability. The reproducible molecular level exploration is imperative for the widespread practical applications of Al₂O₃ MNF. The research objective of this study is to develop a reproducible molecular dynamics (MD) simulation approach to investigate the thermal conductivity of Al₂O₃ MNF considering weight concentration (wt%) and temperature as the performance impacting factors. The MD simulation framework was developed by LAMMPS simulation tool considering Al₂O₃ nanoparticles wt% of 0.1, 0.5, and 1, and temperature range from 30°C to 100°C. Critical aspects including system initialization, interatomic potentials, force fields, ensemble selection, boundary conditions and equilibration processes are discussed in detail in this study to ensure reproducible framework for both novice and adept researchers. The results indicated that as the wt% of nanoparticles in the Al₂O₃ MNF increased, there was a corresponding enhancement in thermal conductivity, with optimal performance observed at 1 wt% and 100°C. The reliability of the simulation approach and findings was ensured by validating the results with the existing literature. The MD simulation in this study determined the thermal conductivity of MNF at the error rate of 3% compared to the other studies. Future studies are planned to develop reproducible MD simulation framework to investigate factors influencing the stability of nanofluids.

Presenting Author: Araf Mim Ahmed Smrity University of Lousiana at Lafayette

Presenting Author Biography: Araf Mim Ahmed Smrity is a Ph.D. candidate in Systems Engineering at the University of Louisiana at Lafayette, with a Mechanical Engineering concentration. His robust research in HVAC&R has led significant projects that have resulted in notable energy efficiencies in hydronic systems and enriched the thermofluidic applications of nanofluids. Araf's future endeavors include molecular dynamics (MD) simulations to explore the thermal characteristics of hybrid nanofluids, further filling the gap between theoretical research and practical thermal management solutions.

Authors:

Araf Mim Ahmed Smrity University of Lousiana at Lafayette
Dr. Peng Yin University of Louisiana at Lafayette