Atomistic simulations of the sliding friction of graphene flakes
Autor: | Luciano Colombo, Emiliano Cadelano, Federico Bonelli, Nicola Manini |
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Jazyk: | angličtina |
Rok vydání: | 2009 |
Předmět: |
Physics
Condensed Matter - Mesoscale and Nanoscale Physics Graphene Flake Theoretical models FOS: Physical sciences Substrate (electronics) Bond breaking Bond formation Condensed Matter Physics Rotation Electronic Optical and Magnetic Materials law.invention Computer Science::Emerging Technologies law Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Graphite Composite material |
Popis: | Using a tight-binding atomistic simulation, we simulate the recent atomic-force microscopy experiments probing the slipperiness of graphene flakes made slide against a graphite surface. Compared to previous theoretical models, where the flake was assumed to be geometrically perfect and rigid, while the substrate is represented by a static periodic potential, our fully-atomistic model includes quantum mechanics with the chemistry of bond breaking and bond formation, and the flexibility of the flake. These realistic features, include in particular the crucial role of the flake rotation in determining the static friction, in qualitative agreement with experimental observations. 10 pages |
Databáze: | OpenAIRE |
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