Application of bi-Helmholtz Nonlocal Elasticity and Molecular Simulations to the Dynamical Response of Carbon Nanotubes

CC Koutsoumaris and GG Vogiatzis and DN Theodorou and GJ Tsamasphyros, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015), 1702, 190011 (2015).

DOI: 10.1063/1.4938978

The nonlocal theory of elasticity is employed for the study of the free vibrations of carbon nanotubes (CNT). For the first time, a bi-Helmholtz operator has been used instead of the standard Helmholtz operator in a nonlocal beam model. Alongside the continuum formulation and its numerical solution, atomistic Molecular Dynamics (MD) simulations have been conducted in order to directly evaluate the eigenfrequencies of vibrating CNTs with a minimum of adjustable parameters. Our results show that the bi-Helmholtz operator is the most appropriate one to fit MD simulation results. However, the estimation of vibration eigenfrequencies from molecular simulations still remains an open (albeit well-posed) problem.

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