Molecular dynamics simulation of atomic friction: A review and guide

Abstract

This paper reviews recent progress in molecular dynamics simulation of atomic-scale friction measured by an atomic force microscopy. Each section of the review focuses on an individual condition or parameter that affects atomic friction including materials, surfaces, compliance, contact area, normal load, temperature, and velocity. The role each parameter plays is described in the context of both experimental measurements and simulation predictions. In addition, the discussion includes an overview of the research community's current understanding of observed effects, guidelines for implementation of those effects in an atomistic simulation, and suggestions for future research to address open questions. Taken together, this review conveys the message that friction at the atomic scale is affected by many interrelated parameters and that the use of molecular dynamics simulation as a predictive tool can be accomplished only through careful model design. V

Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

“…Szlufarska et al reviewed experimental and theoretical studies of wet and dry friction specifically in the area of nanotribology in 2008 [11]. In 2013, Vanossi et al [12] summarised advances in nanoscale to mesoscale modelling of wet and dry friction while and in the same year Dong et al [13] discussed NEMD studies of dry friction in the context of atomic force microscopy (AFM) experiments. In 2014, Sawyer et al [14] provided a more general overview of recent advances in the understanding of dry friction, including the contribution of NEMD.…”

Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation

“…More importantly, the lack of a robust potential energy function to simulate elevated temperature contact loading processes of silicon is still a key problem. This is perhaps the reason that most of the atomic scale simulation studies on silicon using the MD simulation have been performed at low temperatures [1,12]. From the available literature, the two appropriate three body potentials which were evaluated for their use in this study are an analytical bond order potential (ABOP) [13] and a modified version of Tersoff potential [14].…”

Dynamics of Atomic Stick-Slip Friction Examined with Atomic Force Microscopy and Atomistic Simulations at Overlapping Speeds

“…However, validating models quantitatively, understanding how energy is dissipated, and describing the atomic-level processes by which slip occurs dynamically at the interface are beyond the capabilities of the PTT model and are challenging because of the inaccessibility of the buried interface in experiments. Therefore, stick-slip is often considered using molecular dynamics (MD) simulations, which provides a means of directly observing atomic interactions within the interface [14,15]. However, the scanning speeds of AFM and MD have yet to overlap.…”