Modeling the dynamics of a single graphene ripple with LAMMPs

In recent years, graphene has shown great promise for a variety of reasons, but most notably for its potential for energy harvesting. Graphene requires ripples to maintain stability. It has been speculated that kinetic energy of the spontaneous flipping of ripples may be converted into electrical energy using vibration energy harvesting technology. The dynamics of larger graphene sheets may be understood by running molecular dynamic simulations with nanoscale sheets that contain a single ripple. Creating single ripples in graphene requires introducing an optimal level of compressive strain, and freezing the molecules on the edge of the sheet. In this talk, we discuss single-ripple graphene dynamics, modeled on LAMMPs. This includes the effect that compressive strain has on flipping time, and equilibrium position. Additionally, videos of the output will be included to elucidate the mechanics of graphene ripple flipping. Our results will be compared to previous results.