Ali, A.B.M.Hussein, R.A.Babadoust, S.Singh, N.S.S.Salahshour, S.Baghaei, S.2025-02-172025-02-17202502352-507X10.1016/j.nanoso.2025.1014352-s2.0-85214285791https://doi.org/10.1016/j.nanoso.2025.101435https://hdl.handle.net/20.500.14517/7702The rise in air pollution and fuel costs increased the use of various renewable energy options. Currently, scientists face a significant challenge. Finding methods to store energy that can be easily converted is crucial. There is growing interest in using phase change materials for thermal energy storage systems. This interest stems from their ability to conserve energy and reduce air pollution. Silica aerogel effectively maintains the temperature of items over long periods. Phase change materials, recognized for storing thermal energy, are now favored for preserving both hot and cold temperatures. This study aimed to use computer simulations to understand the behavior of silica aerogel/PCM and CuO nanoparticles in a cube. The results show that the nanostructure can achieve a velocity of 0.0086 Å/fs and had a thermal conductivity of 1.85 W/m·K. These findings may have practical applications in heating and cooling systems, energy storage, and the aerospace industry. © 2025 Elsevier B.V.eninfo:eu-repo/semantics/closedAccessCopper OxideMolecular Dynamics SimulationNanocompositeNanoparticlesPhase Change MaterialsSilica AerogelArticleN/AQ141