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RESEARCH PAPERS

A Molecular Dynamics Analysis of Surface Interference and Tip Shape and Size Effects on Atomic-Scale Friction

[+] Author and Article Information
J. Yang, K. Komvopoulos

Department of Mechanical Engineering, University of California, Berkeley, CA 94720

J. Tribol 127(3), 513-521 (Jun 13, 2005) (9 pages) doi:10.1115/1.1843829 History: Received March 22, 2004; Revised June 23, 2004; Online June 13, 2005
Copyright © 2005 by ASME
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Figures

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(a) Three-dimensional representation and (b) top view of initial atomic configuration of a 24as×18as×10as fcc copperlike substrate and a 3at×3at square-base prismatic diamond tip used in some simulations. Sliding was simulated along the [100] direction with the tip edge in the front.
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Schematics showing (a) the boundary conditions (A) used in most simulations and (b) the periodic boundary conditions (B) used to analyze the effects of boundary conditions on the simulation results
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Schematics illustrating the measurement of surface separation and tip–substrate interference for a prismatic diamond tip with square-base width w
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Normal force versus dimensionless tip–substrate interference for a fcc copperlike substrate indented by a 3at×3at square-base prismatic diamond tip: (a) 24as×18as×10as substrate with boundary conditions A, (b) 30as×18as×10as substrate with boundary conditions B, and (c) 24as×18as×20as substrate with boundary conditions A. The initial atomic configuration for simulation case (a) is shown in Fig. 1.
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Average normal and friction forces versus sliding speed for a square-base prismatic diamond tip sliding on a fcc copperlike substrate and fixed tip–substrate interference (δ/as=1.44). The initial atomic configuration and sliding direction are shown in Fig. 1.
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Atomic configurations of a fcc copperlike substrate indented by a square-base prismatic diamond tip for tip–substrate interference equal to (a) 0.4as, (b) 0.65as, (c) 0.9as, and (d) 1.15as. Only atoms between vertical planes AA and BB [Fig. 1(b)] are shown for clarity. The initial atomic configuration and sliding direction are shown in Fig. 1.
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Normal force versus dimensionless sliding distance for a square-base prismatic diamond tip sliding on a fcc copperlike substrate and tip–substrate interference equal to (a) 0.4as, (b) 0.65as, (c) 0.9as, and (d) 1.15as. The initial atomic configuration and sliding direction are shown in Fig. 1.
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Friction force versus dimensionless sliding distance for a square-base prismatic diamond tip sliding on a fcc copperlike substrate and tip–substrate interference equal to (a) 0.4as, (b) 0.65as, (c) 0.9as, and (d) 1.15as. The initial atomic configuration and sliding direction are shown in Fig. 1.
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Atomic configurations of a fcc copperlike substrate due to sliding of a square-base prismatic diamond tip for a distance of 6as and tip–substrate interference equal to (a) 0.4as, (b) 0.65as, (c) 0.9as, and (d) 1.15as. Only atoms between vertical planes AA and BB [Fig. 1(b)] are shown for clarity. The initial atomic configuration and sliding direction are shown in Fig. 1.
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(a) Average normal and friction forces and (b) friction coefficient versus dimensionless tip–substrate interference for a square-base prismatic diamond tip sliding on a fcc copperlike substrate. The initial atomic configuration and sliding direction are shown in Fig. 1.
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Friction coefficient versus dimensionless tip-base size for edge-front sliding of a square-base prismatic diamond tip on a fcc copperlike substrate. The initial atomic configuration of the substrate and sliding direction are shown in Fig. 1.
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Atomic configurations of a fcc copperlike substrate due to sliding of a triangle-base prismatic diamond tip: (a) and (b) top views of initial atomic configurations in edge- and plane-front sliding simulations, respectively, and (c) and (d) three-dimensional atomic configurations obtained after edge- and plane-front sliding by a distance of 6as for fixed tip–substrate interference (δ/as=1.15)
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Friction coefficient versus dimensionless tip–substrate interference for plane- and edge-front sliding of a triangle-base prismatic diamond tip on a fcc copperlike substrate. Top views of initial atomic configurations and the sliding direction are shown in Figs. 12(a) and 12(b).
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Normal force versus dimensionless tip–substrate interference for a fcc copperlike substrate indented by a pyramidal diamond tip. The initial atomic configuration and sliding direction are shown in the inset of the figure.
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(a) Average normal and friction forces and (b) friction coefficient versus dimensionless tip–substrate interference for edge-front sliding of a pyramidal diamond tip on a fcc copperlike substrate. The initial atomic configuration and sliding direction are shown in the inset of Fig. 14.

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