Fig. 8: Atomistic simulation of the pressurised sliding (P = 1 GPa) of two graphite slabs. | Nature Communications

Fig. 8: Atomistic simulation of the pressurised sliding (P = 1 GPa) of two graphite slabs.

From: Humidity-dependent lubrication of highly loaded contacts by graphite and a structural transition to turbostratic carbon

Fig. 8

Basal planes were oriented parallel (a, b) and perpendicular (c–h) to the sliding direction. Left column: snapshot of the simulation. Right column: evolution of the shear stress τ(t). Snapshots are taken at times indicated by vertical bars in the respective τ(t) curves. a, b Basal planes of graphite sliding with \({n}_{{{{{{{{{\rm{H}}}}}}}}}_{2}{{{{{{{\rm{O}}}}}}}}}=16\). c, d Water lubricated sliding of H/OH passivated perpendicular graphite (\({n}_{{{{{{{{{\rm{H}}}}}}}}}_{2}{{{{{{{\rm{O}}}}}}}}}=16\)). e, f Loops formed from initially unpassivated perpendicular graphite sliding with \({n}_{{{{{{{{{\rm{H}}}}}}}}}_{2}{{{{{{{\rm{O}}}}}}}}}=16\). g, h Dry sliding of mixed H/OH passivated graphite. i Average shear stress 〈τ〉 as a function of normal pressure P for the systems in a–h. Color codes refer to the color of the boxes surrounding snapshots. Straight lines are linear fits to the simulation data.

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