Assessment of the mechanical properties of monolayer graphene using the energy and strain-fluctuation methods.

ABSTRACT: Molecular statics and dynamics simulations were performed to investigate the mechanical properties of a monolayer graphene sheet using an efficient energy method and strain-fluctuation method. Using the energy method, we observed that the mechanical properties of an infinite graphene sheet are isotropic, whereas for a finite sheet, they are anisotropic. This work is the first to report the temperature-dependent elastic constants of graphene between 100 and 1000 K using the strain-fluctuation method. We found that the out-of-plane thermal excursions in a graphene membrane lead to strong anharmonic behavior, which allows large deviations from isotropic elasticity. The computed Young's modulus and Poisson's ratio of a sheet with an infinite spatial extent are 0.939 TPa and 0.223, respectively

SUBMITTER: Thomas S 

PROVIDER: S-EPMC9083449 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature