Journal
PHYSICAL REVIEW B
Volume 80, Issue 20, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.205407
Keywords
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Funding
- NSF [CMMI-0927891, CMMI-0826093, DMR-0706058]
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The nonlinear in-plane elastic properties of graphene are calculated using density-functional theory. A thermodynamically rigorous continuum description of the elastic response is formulated by expanding the elastic strain energy density in a Taylor series in strain truncated after the fifth-order term. Upon accounting for the symmetries of graphene, a total of fourteen nonzero independent elastic constants are determined by least-squares fit to the ab initio calculations. The nonlinear continuum description is valid for infinitesimal and finite strains under arbitrary in-plane tensile loading in circumstance for which the bending stiffness can be neglected. The continuum formulation is suitable for incorporation into the finite element method.
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