Atomistic Simulation of frictional anisotropy on quasicrystal approximant surfaces

TL;DR

This study uses molecular dynamics simulations to investigate the mechanisms behind the large frictional anisotropy observed on quasicrystal surfaces, highlighting the role of organic chain passivation in reproducing experimental results.

Contribution

It demonstrates that organic passivation of the tip reproduces experimental friction anisotropy, revealing the importance of surface furrow entrainment in atomic-scale friction.

Findings

Organic chain passivation reproduces experimental anisotropy.

Entrainment of organic chains in surface furrows influences friction.

Bare tip simulations fail to replicate experimental results.

Abstract

Park {\it et al.} have reported eight times greater atomic-scale friction in the periodic than in the quasiperiodic direction on the two-fold face of a decagonal Al-Ni-Co quasicrystal. We present results of molecular-dynamics simulations intended to elucidate mechanisms behind this giant frictional anisotropy. Simulations of a bare atomic-force-microscope tip on several model substrates and under a variety of conditions failed to reproduce experimental results. On the other hand, including the experimental passivation of the tip with chains of hexadecane thiol, we reproduce qualitatively the experimental anisotropy in friction, finding evidence for entrainment of the organic chains in surface furrows parallel to the periodic direction.