Molecular Dynamics Simulation of Friction in Xenon Films on a Silver Substrate
M. S. Tomassone, J. B. Sokoloff, A. Widon, J. Krim
Abstract
We perform molecular dynamics simulations of friction for atomically thin Xe films sliding on Ag(111). We determine the inverse of the coefficient of friction (i.e. slip time) by direct calculation of the decay of the center of mass velocity after applying an external force, as well as from the velocity autocorrelation function. We find that the slip time exhibits a drop followed by a sharp increase in a range of coverage near one monolayer. The slip time then levels off with further coverage increases in agreement with previously reported experiments. Our simulations suggest that the friction found in this system is dominated by phonon excitations.
Create a lesson
Related papers
Necessary conditions for benchmarking next-generation AI in materials discovery
Daniel E Widdowson, Tatiana V Kurlina, Olga D Anosova et al.
Doubly Metastable Synthesis for Accelerated Quantum Materials Discovery
Kyuho Lee, Berit H. Goodge, Soonhyun Kwon et al.
Phononic Frequency Combs in Twisted Bilayer Transition Metal Dichalcogenide Heterostructures from First Principles
Naman Arora, Adarsh Ganesan
Improved screening of doped ZrO2 catalysts for CO2 hydrogenation from graph-based machine learning
Karsten Walz Jensen, Mie Andersen, Raffaele Cheula
Dislocation mediated twin boundary faceting in β-Sn
John Israel, Ian Chesser, Khanh Dang et al.
Ferroelectric Domain-Wall Motion, Stability, and Frequency Responses under Different Screening-Charge Conservation Laws
Sergei V. Kalinin