4.7 Article

Origin of frictional scaling law in circular twist layered interfaces: Simulations and theory

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PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jmps.2022.105114

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Twisted bilayer graphene; Superlubricity; Layered materials; Moire ? boundary; Friction

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Structural superlubricity based on twisted layered materials has attracted significant research interest. Molecular dynamics simulations reveal a strong correlation between the size scaling of friction and Moire '-level oscillations in circular twisted bilayer graphene (tBLG). By proposing a theoretical formula and deriving an analytic expression, we successfully explain the observed abnormal scaling and provide a rational explanation for the measured scattered power scaling law in various experiments. Additionally, we demonstrate that the origin of the scaling law is related to the Moire ' boundary, highlighting its importance in the thermodynamic models of layered materials.
Structural superlubricity based on twisted layered materials has stimulated great research interests. Recent MD simulations show that the circular twisted bilayer graphene (tBLG) presenting a size scaling of friction with strong Moire '-level oscillations. To reveal the physical origin of observed abnormal scaling, we proposed a theoretical formula and derived the analytic expression of frictional size scaling law of tBLG as F proportional to theta-32R12, where theta and R are the interfacial twist angle and the radius of the flake, respectively. The predicted twist angle dependent scaling law agrees well with MD simulations and provides a rationalizing explanation for the scattered power scaling law measured in various experiments. Finally, we show clear evidence that the origin of the scaling law comes from the Moire ' boundary, that is, the remaining part of the twisted layered interfaces after subtracting the internal complete Moire ' supercells. Our work provides new physical insights into the friction origin of layered materials and highlights the importance of Moire ' boundary in the thermodynamic models of layered materials.

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