Origin of frictional ageing by molecular dynamics simulation of a silicon tip sliding over a diamond substrate

Multiscale analysis of friction behavior at fretting interfaces

“…Therefore, when the analysis is focused on micro principles, it is reasonable to simulate the single asperity in a hemisphere shape [32]. Because a single asperity size will affect the friction behavior between the fretting interfaces, the single asperity was set to 24 Å in diameter for the closest contact conditions [24], and two asperities were initially 30 Å apart and free from the molecular force interaction for relaxation, which ensures equilibrium.…”

“…Meanwhile, diamond, which is an atomic crystal, is fully bonded with certain orientations by covalent electrons. Given the relationship, the possibility for a diamond atom to transfer will be much lower than an aluminum ion/atom [20,24,43,44], that is x , and the number of atoms/ions in the activation volume (V) N at the detached surface. As a result, free electrons promote residual stress along the lattice deformation by eliminating the bonding direction trends.…”

“…As a result, MD may be able to answer these questions. Although the standard tip-shape sliding model for friction analyses is commonly used in MD simulations [24], its relationship with the macroscopic phenomena, such as the coefficient of friction (CoF), is not fully and quantitatively understood [20]. Moreover, a reasonable layer division, a thermal boundary setup, and an asperity geometry, also add to the diversity and complexity of MD solutions for fretting friction problems [20,25,26].…”

“…In this study, MD simulations are performed to examine the whole continuous friction behavior of Al, diamond, and Si fretting interfaces by focusing on a comparison of their force responses. First, by referring to the published simulation parameters [23,24,27], the effects of interfacial configurations and material properties were examined by simulating the Al-Al, diamond-diamond, and diamond-Si fretting interfaces. Second, new theories are proposed to explain the cause of these effects.…”

Advances in atomic-scale tribological mechanisms of solid interfaces

“…Meanwhile, the unveiling of friction mechanism at atomic scale will provide the guiding for finding the new solid lubrication materials which have the better lubrication performance. Along with the developments of molecular dynamic, first-principle theories and the appearance of atomic force microscopy (AFM), scientists have made a great progress [26][27][28][29][30][31][32][33][34] on atomic-scale tribological mechanism involving these solid lubrication materials and metals interfaces. Therefore, this paper aims at reviewing the theoretical advances which are associated with atomic-scale friction of solid sheet in recent years, from the respects of first-principle calculation, molecular dynamic and AFM experiments.…”