Presentation Information
[2P04]Computational study of friction and energy dissipation in graphene peeling: minimizing stick-slip through peeling-angle control
*Kyosuke Watanuki1, Naruo Sasaki1 (1. Graduate School of Informatics and Engineering, The University of Electro-Communications (Japan))
Friction in nanoscale devices is a major source of energy loss and reduced efficiency. During the manipulation of two-dimensional materials such as graphene, stick–slip motion during peeling can cause substantial energy dissipation. In this study, we investigated the influence of the peeling angle on friction and energy dissipation at a lattice-matched graphene/graphite interface using quasi-static molecular mechanics simulations at 0 K.
A hybrid potential combining AIREBO-M and Morse potentials was used to model the system. The results show that the dissipated energy is minimized at an optimal fixed peeling angle, where peeling atoms can avoid crossing substrate potential barriers. In contrast, energy dissipation increases at nonoptimal angles because of stick–slip motion. Adaptive peeling, in which the peeling angle is adjusted to maintain lateral force balance, further suppresses stick–slip and significantly reduces the energy dissipation rate compared with fixed-angle peeling. Supplementary simulations suggest that the residual dissipation is mainly caused by the hydrogen-terminated edge structure.
A hybrid potential combining AIREBO-M and Morse potentials was used to model the system. The results show that the dissipated energy is minimized at an optimal fixed peeling angle, where peeling atoms can avoid crossing substrate potential barriers. In contrast, energy dissipation increases at nonoptimal angles because of stick–slip motion. Adaptive peeling, in which the peeling angle is adjusted to maintain lateral force balance, further suppresses stick–slip and significantly reduces the energy dissipation rate compared with fixed-angle peeling. Supplementary simulations suggest that the residual dissipation is mainly caused by the hydrogen-terminated edge structure.
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