ATOMIC-SCALE FINITE ELEMENT OF POST BUCKLING CNT’S

Abstract

This paper illustrates an atomic-scale finite element method AFEM to study the post buckling behavior of Carbon Nano Tubes CNTs. The computed energy curves and critical strain for the (8, 0) single-walled CNT SWNT agree with atomistic simulations. The AFEM is very fast and flexible outstanding to the competence of the finite element method. For the SWNT, the strain energy curves have apparent jumps at morphology changes and during the smooth continuation stages of post buckling, the strain energy varies in the linear order with the strain. For the double-walled CNT, there are only small strain energy releases, and the strain energy also changes approximately piecewise linearly with the strain. The morphologies are obtained in detail. AFEM is computationally rapid and is an alternative efficient way to study the post buckling of CNTs

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