Abstract
Two-dimensional (2D) materials have, over the past decade, attracted significant amounts of research interest due to their exceptional and unique physical properties. Here, two areas of graphene mechanics are overviewed where computational techniques, both existing (classical molecular dynamics) and new (electromechanical coupling techniques), have enabled new insights. First, we discuss the prediction of and insights gained with regard to atomistic simulations of auxetic behavior in 2D materials. Second, new computational techniques are discussed that couple molecular dynamics, tight-binding, and quantum transport to examine how mechanical strain can impact, in interesting and often unanticipated fashion, the electronic properties of graphene kirigami.
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Park, H.S. (2018). Mechanics and Electromechanics of Two-Dimensional Atomic Membranes. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling. Springer, Cham. https://doi.org/10.1007/978-3-319-50257-1_44-1
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