A new atomic-scale finite element simulation method for nanomechanics of single-walled carbon nanotubes

In this paper, a new atomic-scale finite element method based on the nonlinear spring model is developed for SWCNTs (single-walled carbon nanotubes). Atoms are chosen as nodes and supposed to be connected with each other in the finite element model by line-springs and torsion springs, whose mechanical parameters are determined by Tersoff-Brenner potential. The process of establishing global stiffness matrix is given in detail. Some of the application examples are shown, and the results are compared with those obtained by other methods. It is found that by using this method, the simulation can be accelerated without losing accuracy.