Investigation of the friction process between metal structures in the presence of nanoparticles in terms of contact angles and the number of atomic layers using the molecular dynamics simulation

In this research, using the molecular dynamics (MD) simulation method, the friction process in an atomic structure composed of an iron matrix in the presence of spherical aluminium nanoparticles is investigated. From a computational point of view, a channel with a length of 100 angstrom is used as the simulation box. This paper investigates some parameters such as the thermodynamic equilibrium in atomic structures and the friction process in atomic structures in terms of different normal load, contact angles, and the number of atomic layers of a metal matrix. Then by changing the amount of normal load, contact angles, and number of atomic layers of a metal matrix, the change in maximum temperature, force applied, number of separated atoms from the simulated metal matrix, and relative velocities of simulated metal matrix and nanoparticles have been investigated. The results show that kinetic and potential energy converges to 39 and - 246 eV after 1 ns. In general, the results show that the friction process is observed with increase in normal load with more intensity. Also, the results show that by increasing the collision angle to 45 degrees (the angle between the target atomic structure and the metal matrix), intra-atomic friction in the sacs increases. Finally, with an increase in the number of atomic layers, the amount of resistance to the motion of the target structure increases, and the destructive effect of the friction process is reduced.