A comprehensive continuum model for graphene in the framework of first strain gradient theory
Sharif University of Technology, Tehran, Islamic Republic of Iran
Accepted: 28 June 2021
Published online: 28 July 2021
Capture of discrete nature of nanomaterials is central to predict their behavior in high precision. To this end, various augmented continuum theories have been presented. However, their accuracy is strongly dependent on the recognition of accurate values of associated characteristic length scale parameter, and many ambiguities and uncertainties still remain about them. As main purpose of this study, the accurate values of elasticity tensor elements in the framework of first strain gradient theory are calculated for graphene with trigonal crystal system. A promising way to achieve them could be through molecular mechanics model. So that, the energy, including strain and kinetic energy, based on first strain gradient theory can be equivalent to that ones on the basis of molecular mechanics model. This successful relation results in addressing the accurate values of elasticity tensor element. In this way, the dynamic and static behaviors of graphene can be accurately investigated.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021