Atomistic modeling of armchair and zigzag graphene nanoribbons (GNRs) has been performed to investigate the post-wrinkling behavior under in-plane (x–y) shear deformation. Simulations were performed at 300 K for square GNRs with size ranging from 2.5 nm to 20 nm. Shear stresses led only to diagonal tension, and wrinkling was not accompanied by any diagonal compressive force. Once the diagonal tension reached its ultimate elastic level, three major stress-relaxing phenomena were observed. The type of stress-relaxing phenomenon involved greatly affected the mechanical behavior in terms of the slope of the stress–strain diagram beyond the elastic range. The results showed that the average slope of the stress–strain relation beyond the ultimate elastic stress decreased with the increase of the GNR size. Moreover, the slope of the shear stress–strain curve beyond the ultimate elastic stress was always greater for armchair than for zigzag GNRs. GNRs can sustain very high plastic shear strains beyond 100% before failure. The ultimate elastic stress can range from 20 GPa to 50 GPa, occurring at shear strain ranging from 52% to 19%. The ultimate elastic stress and strain were inversely proportional to the size of the GNR with a power factor ranging from 0.261 for armchair GNRs to 0.354 for zigzag GNRs due to the decrease in the effective width for diagonal tension.
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This project is sponsored by the United States Navy, Office of Naval Research.
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Ragab, T., Basaran, C. Shear Strength of Square Graphene Nanoribbons beyond Wrinkling. Journal of Elec Materi 47, 3891–3896 (2018) doi:10.1007/s11664-018-6264-z
- Molecular dynamics simulations
- shear strength