MD Sliding Simulations of Amorphous Tribofilms Consisting of either SiO2 or Carbon

Abstract

The sliding behaviors of two simplified tribofilms with amorphous structure consisting either of SiO2 molecules or C atoms were simulated by molecular dynamics modeling. The objective was to identify mechanisms explaining the experimentally observed lubricating properties of the two amorphous films. The impacts of layer thickness, normal pressure, temperature and different substrate materials were studied systematically, while the sliding velocity was kept constant at 30 m/s. While the layer thickness was not critical, all the other parameters showed special effects under certain conditions. Normal pressure impeded void formation and could even eliminate voids if applied at high temperature. Stick-slip sliding was changed to smooth sliding at high temperature due to void healing. Considering the carbon film, high friction forces and shearing of the entire film was observed with diamond substrates, whereas interface sliding at low friction forces and an amorphous layer of iron mixed with carbon was observed if the supporting substrates consisted of α-Fe. Both films show a decrease of friction forces and smooth sliding behavior at elevated temperature, corresponding well to the tribological behavior of an advanced nanocomposite sliding against a steel disc under severe stressing conditions when high flash temperatures can be expected.

Keywords

• dry friction
• amorphous silica film
• amorphous carbon film
• sliding simulation
• molecular dynamics