Publications Details

Peridynamic Model for Single-Layer Graphene Obtained from Coarse-Grained Bond Forces

D'Elia, Marta D.; Silling, Stewart A.; You, Huaiqian; Yu, Yue; Fermen-Coker, Muge

An ordinary state-based peridynamic material model is proposed for single-sheet graphene. The model is calibrated using coarse-grained molecular dynamics simulations. The coarse-graining method allows the dependence of bond force on bond length to be determined, including the horizon. The peridynamic model allows the horizon to be rescaled, providing a multiscale capability and allowing for substantial reductions in computational cost compared with molecular dynamics. The calibrated peridynamic model is compared to experimental data on the deflection and perforation of a graphene sheet by an atomic force microscope probe.