A Molecular Dynamics Approach To Investigate the Thermal Performance of Silica-Aerogel/PCM at Different Magnetic Field Frequencies

Abstract

The significance of advanced energy storage methods is underscored by the increasing demand for renewable energy, which is a result of the need to reduce greenhouse gas emissions and the high cost of gas. Silica aerogels and phase change materials provide effective solutions for temperature regulation and thermal energy storage. This study examines the impact of magnetic field frequency on the thermal performance of a cubic silica aerogel/phase change material nanostructure that contained CuO nanoparticles. It capitalized on the superior thermal insulation properties of silica aerogels to enhance energy conservation and minimize environmental impact. The utilization of a molecular dynamic simulation enabled us to investigate the movement of heat between particles and their unique characteristics. The impact of various magnetic field frequencies on critical parameters, such as density, temperature, thermal conductivity, heat flux, and charging/discharging periods, was investigated through molecular dynamics simulations. The results indicate that the maximum density increased from 0.999 to 1.035 atoms/ų as the magnetic field frequency increased to 0.05 fs⁻¹. In contrast, the maximum velocity diminishes from 0.0092 to 0.0081 Å/fs, and the maximum temperature decreases from 762 K to 743 K. The heat flux and thermal conductivity diminish to 69.88 W/m² and 1.82 W/m·K, respectively, as the magnetic field frequency increases. It is important to note that the discharging time decreased slightly to 8.06 ns at a frequency of 0.05 fs⁻¹, while the charging time increased, reaching 7.12 ns. These findings underscore the potential of the combination of PCMs with silica aerogels to improve thermal management and energy storage applications through the application of magnetic fields. © 2025 Elsevier B.V.