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Reports
Structure, flow, and response characteristics of molecularly thin
films of hexadecane, sheared by topographically nonuniform solid gold
surfaces sliding at a relative velocity of 10 meters per second, were
investigated with molecular dynamics simulations. The simulations
reveal three characteristics: spatial and temporal variations in the
density and pressure of the lubricant in the region confined by the
approaching asperities, accompanied by asperity-induced molecular
layering transitions that are reflected in oscillatory patterns in the
friction force; asperity deformations and microstructural
transformations mediated by the lubricant; and an onset of cavitated
zones in the lubricant after the asperity-asperity collision process.
The simulations extend micrometer-scale elastohydrodynamic
investigations into the nanometer-scale regime and provide
molecular-scale insights into the fundamental mechanisms of ultrathin
film lubrication phenomena under extreme conditions.
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Science. ISSN 0036-8075 (print), 1095-9203 (online)