Molecular dynamics simulation of friction on the atomic scale

Abstract

Several molecular dynamics simulations are performed, in order to clarify the atomic-scale stick-slip phenomenon which is commonly observed in the surface measurement using an atomic fine microscope (AFM). In the molecular dynamics simulations, a specimen and a slider are assumed to consist of monocrystalline copper and rigid diamond, respectively, and a Morse potential is postulated between a pair of atoms. Atomic behavior in a plane corresponding to the (111) crystal plane is simulated, dealing with a planar strain problem where the effect of the three-dimensional interatomic force and the spring constant of the AFM cantilever are also taken into consideration. Influence of the cantilever stiffness and dynamics of the specimen surface atoms on the atomic-scale stick-slip phenomenon are investigated. The simulation confirms that the atomic-scale stick-slip phenomenon can be expressed by a molecular dynamics simulation and that the stick-slip phenomenon of the surface atoms of the specimen affects the stick-slip phenomenon of the spring force. These results indicate that molecular dynamics simulation has an advantage in deciding the spring constant of cantilevers.

Modeling of stick-slip phenomena using molecular dynamics

“…Many MD studies of the stick-slip have been concerned with the study of sliding friction. 9,[13][14][15] However, scratch testing is an important practical tool for the investigation of surface mechanical properties and in this investigation ploughing rather than sliding friction is considered. The dynamics of the indenter and the substrate, including the behavior of the different forces in action, the coefficient of friction, at particular stick and slip events are studied during scratching of an Ag͑010͒ surface by an atomistically defined diamond tip.…”

Molecular Dynamics Simulation of Energy Dissipation Process in Atomic-Scale Stick-Slip Phenomenon

“…Morita and Sasaki's group also tried the comparison between their experimental and simulation results, and a good agreement between them was confirmed [6]. The authors also simulated the atomic-scale stick-slip phenomenon using the molecular dynamics [7] with a simple model where the effect of the cantilever stiffness of the AFM is taken into consideration [8], and has reported some worthwhile insights, such as the relationship between the atomic force images and behavior of the probe tip [9]. However, there has been little attempt which has investigated the energy dissipation process in such an atomic-scale friction processes, particularly with atomic-scale stick-slip phenomenon.…”

Molecular Dynamics Simulation of Nanoscale Machining

“…In 1991, Belak and Stowers first applied the MD to abrasive processes (Belak & Stowers, 1991) and Rentsch and Inasaki's study later presented the first results of simulations targeted on the pile-up phenomenon in abrasive machining (Rentsch & Inasaki, 1994). The MD method has been used in a variety of other application areas, namely; indentation (Kenny & Mulliah, 2005, Smith et al, 2003, wear and friction , Shimizu et al, 1998, void growth (Potirniche et al, 2006, Zhao et al, 2009, etcetera.…”