Molecular dynamics simulation of friction process in atomic structures with spherical nanoparticles

Abstract

This research investigates the friction process in atomic structures with spherical nanoparticles using the molecular dynamics simulation method. In the simulations performed, the aluminum sample is considered a substrate, the copper sample as nanoparticles, and the iron sample as the target structure. In the first step of the study, the thermodynamic equilibrium of these compounds in terms of temperature and total energy is investigated. As a result, the temperature converges to 300 K, and total energy converges to −270 eV. The results show the equilibrium in atomic structures and indicate the proper selection of atomic positions and interatomic interactions in the simulated samples. Also, some parameters such as friction process in atomic structures in terms of simulation temperature, process friction in atomic structures in terms of the number of simulated nanoparticles, and the friction process in atomic structures in terms of the target structure's velocity are investigated. The results show that as the simulated system's temperature increases, the friction effect on the simulated matrix increases. As the velocity of the target structure increases, the contact time between the atomic structures decreases. Finally, As the maximum force applied to the target metal matrix decreases, it is expected that the amplitude of atomic oscillation of the structures decreases, resulting in a decrease in the mobility and the maximum temperature in the atomic structures.