Atomistic simulations of mechanical properties of graphene nanoribbons

Hao Bu,Yunfei Chen,Min Zou,Hong Yi,Kedong Bi,Zhonghua Ni

doi:10.1016/j.physleta.2009.07.048

Atomistic simulations of mechanical properties of graphene nanoribbons

Hao Bu, Yunfei Chen + Show 4 more

https://doi.org/10.1016/j.physleta.2009.07.048

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Journal: Physics Letters A	Publication Date: Jul 22, 2009
Citations: 146

Affiliation: Southeast University, University of Arkansas at Fayetteville

#Atomistic Simulations Of Mechanical Properties #Mechanical Properties Of Graphene Nanoribbons + Show 8 more

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Abstract

The mechanical behavior of graphene nanoribbons (GNRs) was investigated by molecular dynamics (MD) simulations. The simulation results showed that GNRs behave nonlinear elastically under tensile loads. When the strain exceeds 18%, the stress stiffening causes an increase in the Young's modulus. The width of a GNR has slight effects on the Young modulus and fracture strength. The maximum strain at which fracture occurs can reach 30.26% with an intrinsic strength of about 0.175 TPa. The excellent flexibility is attributed to the elongation of the C C bonds and the variations of the bond angles.

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