Molecular Dynamics Simulations of Ripple Nanostructure Formation During Nanomachining via Atomic Force Microscopy

Abstract

Molecular dynamics (MD) constant force simulation mode is first used to study the formation of the ripple nanostructures on the single-crystal copper surface by combining the topography generated by machined grooves with the accumulated pile-up material on the side of these grooves via a triangular pyramid atomic force microscopy (AFM) tip. Groove morphologies, lateral forces, the evolution of subsurface defects, and atomic flow laws generated by different machining parameters are discussed. Specifically, the normal load, the feed value between grooves, and the scratching direction significantly affect groove formation. The simulated morphologies of the ripple nanostructures indicate that groove consistency and symmetry increase with increasing feed, and an optimized feed for various normal loads can be determined. The interaction between adjacent grooves produces a variation in the lateral forces with the groove number and feed. This is mainly related to the evolution of subsurface defects, the atomic flow law, and the volume of material pile-ups. The distributions of subsurface defects affect the atomic flow directions, and the atomic flow laws determine groove formation. The simulations provide important guidance for ripple nanostructure fabrication on single-crystal copper surface via AFM tips.