We present classical molecular dynamics calculations of the behavior of copper and gold nanoparticles on a graphene sheet, sheared with a constant applied force $F_{\rm a}$. The force $F_{\rm s}$ acting on the particle from the substrate depends on the material of the nanoparticles (Au or Cu), and exhibits a sawtooth dependency on time, which we attribute to local commensurability between the metal nanoparticle surface atomic positions with the graphene lattice. The time-averaged value of $F_{\rm s}$ (the friction force) acting on Au nanoparticles increases linearly with the contact area, having slopes close to the experimentally observable ones. A qualitative model is proposed to explain the observed results.
Quantifying superlubricity of bilayer graphene from the mobility of interface dislocations
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Material Research Laboratory, University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校材料研究实验室）
How Good Is DFT for Solid-Liquid Interfaces? A Comparison With the Random-Phase Approximation for Water on Graphene
University of Cambridge（剑桥大学）；Max Planck Institute for Polymer Research（马克斯·普朗克聚合物研究所）；Max Planck Initiative for Liquid Research（马克斯·普朗克液体研究倡议）；Universitat Politècnica de Catalunya（加泰罗尼亚理工大学）
Spintronics meets nonadiabatic molecular dynamics: Geometric spin torque and damping on noncollinear classical magnetism due to electronic open quantum system
