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. 2019 Nov 14;9(11):1617.
doi: 10.3390/nano9111617.

Influence of Nanoscale Textured Surfaces and Subsurface Defects on Friction Behaviors by Molecular Dynamics Simulation

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Free PMC article

Influence of Nanoscale Textured Surfaces and Subsurface Defects on Friction Behaviors by Molecular Dynamics Simulation

Ruiting Tong et al. Nanomaterials (Basel). .
Free PMC article

Abstract

In nanomaterials, the surface or the subsurface structures influence the friction behaviors greatly. In this work, nanoscale friction behaviors between a rigid cylinder tip and a single crystal copper substrate are studied by molecular dynamics simulation. Nanoscale textured surfaces are modeled on the surface of the substrate to represent the surface structures, and the spacings between textures are seen as defects on the surface. Nano-defects are prepared at the subsurface of the substrate. The effects of depth, orientation, width and shape of textured surfaces on the average friction forces are investigated, and the influence of subsurface defects in the substrate is also studied. Compared with the smooth surface, textured surfaces can improve friction behaviors effectively. The textured surfaces with a greater depth or smaller width lead to lower friction forces. The surface with 45° texture orientation produces the lowest average friction force among all the orientations. The influence of the shape is slight, and the v-shape shows a lower average friction force. Besides, the subsurface defects in the substrate make the sliding process unstable and the influence of subsurface defects on friction forces is sensitive to their positions.

Keywords: friction; molecular dynamics simulation; subsurface defect; textured surface.

Conflict of interest statement

The authors declare no conflict of interest. The funders had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, or in the decision to publish the results.

Figures

Figure 1
Figure 1
MD model of the sliding contact.
Figure 2
Figure 2
Textured surfaces with different depths. (a) Smooth surface; (b) d = 0.3615 nm; (c) d = 0.723 nm; (d) d = 1.0845 nm.
Figure 3
Figure 3
Average friction forces of the smooth surface and textured surfaces with different depths.
Figure 4
Figure 4
Textured surfaces with different widths. (a) w = 0.3615 nm; (b) w = 0.723 nm; (c) w = 1.0845 nm.
Figure 5
Figure 5
Average friction forces of textured surfaces with different widths.
Figure 6
Figure 6
Atoms distributions during sliding process (w = 0.723 nm). (a) initial stage; (b) intermediate stage; (c) final stage.
Figure 7
Figure 7
Atom accumulation in sliding process. (a) w = 0.3615 nm; (b) w = 1.0845 nm.
Figure 8
Figure 8
Components of friction force.
Figure 9
Figure 9
The definition of the texture orientation.
Figure 10
Figure 10
Average friction forces of textured surfaces with different orientations.
Figure 11
Figure 11
Schematic of the Frenkel–Kontorova–Tomlinson (FKT) model [39]. (a) Commensurate; (b) incommensurate.
Figure 12
Figure 12
Atom accumulation in sliding process. (a) θ = 0°; (b) θ = 45°.
Figure 13
Figure 13
Components of friction force.
Figure 14
Figure 14
Textured surfaces with different shapes. (a) #-shape; (b) rectangular; (c) v-shape.
Figure 15
Figure 15
Average friction forces of textured surfaces with different shapes.
Figure 16
Figure 16
Sliding contact model with subsurface defects in substrate.
Figure 17
Figure 17
Average friction forces for different depths of defects.
Figure 18
Figure 18
The dislocation of substrate during sliding process. (a) Perfect substrate; (b) substrate with defects (h = 3.615 nm).

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