Phase transition in aluminum hydride nanoparticles coated with different atomic structures using molecular dynamics method
KF Chen and KR Zeng and R Sabetvand, INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER, 129, 105689 (2021).
One of the most important new structures is nanofluids with acceptable performance in various processes. Due to the increasing use of nanoparticles in various parts of industry and technology, in this study, the phase transition in aluminum hydride nanoparticles coated with different atomic structures was investigated by the molecular dynamics method. In this study, to calculate the structure potential, the potentials of Lennard-Jones, EAM, and Coulomb were used. In this research, some parameters such as temperature and total energy equilibrium in the simulated sample, the influence of nanoparticles on heat flux changes, the effect of nanoparticles on phase transition time, and the effect of nanoparticles on atomic stability time are examined. The MD simulation results show that the heat flux in the atomic samples enhances with more nanoparticles in atomic structures. Also, with aluminum hydride nanoparticles with a numerical value of 5% into the simulated structures, the phase transition time in the simulated water- based fluid reaches 4.95 ns. The results of this study are expected to be effective in improving phase transition behavior in related processes.
Return to Publications page