Atomic simulations of kinetic friction and its velocity dependence at AlAl and αAl2O3αAl2O3 interfaces

Qing Zhang, Yue Qi, Louis G. Hector, Jr., Tahir Çağın, and William A. Goddard, III
Phys. Rev. B 72, 045406 – Published 5 July 2005

Abstract

Kinetic friction during dry sliding along atomistic-scale Al(001)Al(001) and αAl2O3(0001)αAl2O3(0001) interfaces has been investigated using molecular dynamics (MD) with recently developed Reactive Force Fields (ReaxFF). It is of interest to determine if kinetic friction variations predicted with MD follow the macroscopic-scale friction laws known as Coulomb’s law (for dry sliding) and Stokes’ friction law (for lubricated sliding) over a wide range of sliding velocities. The effects of interfacial commensuration and roughness on kinetic friction have been studied. It is found that kinetic friction during sliding at commensurate αAl2O3(0001)αAl2O3(0001) interfaces exceeds that due to sliding at an incommensurate αAl2O3(0001)αAl2O3(0001) interface. For both interfaces, kinetic friction at lower sliding velocities deviates minimally from Coulombic friction, whereas at higher sliding velocities, kinetic friction follows a viscous behavior with sliding damped by thermal phonons. For atomically smooth Al(001)Al(001), only viscous friction is observed. Surface roughness tends to increase kinetic friction, and adhesive transfer causes kinetic friction to increase more rapidly at higher sliding velocities.

    • Received 15 September 2004

    DOI:https://doi.org/10.1103/PhysRevB.72.045406

    ©2005 American Physical Society

    Authors & Affiliations

    Qing Zhang1, Yue Qi2, Louis G. Hector, Jr.2, Tahir Çağın1, and William A. Goddard, III1

    • 1Materials and Process Simulation Center (MSC), California Institute of Technology, Pasadena, California 91125, USA
    • 2GM Research & Development Center, Warren, Michigan 48090, USA

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    Issue

    Vol. 72, Iss. 4 — 15 July 2005

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