Berlin 2015 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 9: Nanoparticles and Composite Materials II (joint session CPP, BP)
CPP 9.14: Talk
Monday, March 16, 2015, 18:30–18:45, C 243
Effective mechanical properties of graphene obtained by computational mechanical tests — •Markus A. Hartmann1, Melanie Todt2, and Franz G. Rammerstorfer2 — 1Institute of Physics, Montanuniversität Leoben, 8700 Leoben, Austria — 2ILSB, Vienna Institute of Technology, 1040 Vienna, Austria
Carbon nanostructures combine a high stiffness with low weight and an exceptional toughness making carbon a promising candidate for applications in structural mechanics. Understanding the mechanical properties of these structures on every length scale is of utmost importance to be able to exploit the full potential of these materials. In the presented work the effective mechanical parameters of graphene are assessed that are the necessary input parameters for large scale finite element calculations. Of special interest is the "effective thickness" in combination with the "effective Young's modulus" of monolayer graphene. Potentials obtained by ab initio calculations [1] were used in subsequent Monte Carlo simulations to assess the effective mechanical properties of graphene [2]. The membrane stiffness and the bending stiffness (and consequently the effective thickness) of graphene were evaluated. The results showed that the elastic modulus as well as the Poisson ratio corresponds well to values known from literature. For structures too small the continuum approximation breaks down and the effective thickness decreases, while it attains a constant value of approximately 0.132 nm for structures large than 5 nm.
[1] Holec et al., Phys. Rev. B 81, 235403 (2010)
[2] Hartmann et al., Europhys. Lett. 103, 68004 (2013)