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Bending modes, elastic constants and mechanical stability of graphitic systems

✍ Scribed by G. Savini; Y.J. Dappe; S. Öberg; J.-C. Charlier; M.I. Katsnelson; A. Fasolino


Book ID
104009332
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
1023 KB
Volume
49
Category
Article
ISSN
0008-6223

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✦ Synopsis


The thermodynamic and mechanical properties of graphitic systems are strongly dependent on the shear elastic constant C 44 . Using state-of-the-art density functional calculations, we provide the first complete determination of their elastic constants and exfoliation energies. We show that stacking misorientations lead to a severe lowering of C 44 of at least one order of magnitude. The lower exfoliation energy and the lower C 44 (more bending modes) suggest that flakes with random stacking should be easier to exfoliate than the ones with perfect or rhombohedral stacking. We also predict ultralow friction behaviour in turbostratic graphitic systems.


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