MOLECULAR DYNAMICS SIMULATION RESULTS FOR BUCKLING OF DOUBLE-WALLED CARBON,NANOTUBES WITH SMALL ASPECT RATIOS
ANR Chowdhury and CM Wang, PROCEEDINGS OF THE IJSSD SYMPOSIUM 2012 ON PROGRESS IN STRUCTURAL STABILITY AND DYNAMICS, 123-132 (2012).
Researchers using molecular dynamics simulations for buckling analysis of double walled carbon nanotubes (DWCNTs) have furnished somewhat different results, especially for DWCNTs with small aspect ratios (L/D-in<10 where L is the length and D-in the inner tube diameter). In the development of continuum models for buckling of DWCNTs that has van der Waals interaction between walls, it is necessary to have benchmark molecular dynamics (MD) results for calibration. This paper aims to review the existing MD buckling results for DWCNTs with small aspect ratios and to provide an additional comprehensive set of results for benchmarking purpose. For the latter objective, molecular dynamics simulations are conducted on nine sets of DWCNTs of different lengths at 1 K and 300 K. All the DWCNTs chosen for the MD simulation have an inner tube with chiral indices (5, 5) and an outer tube with chiral indices (10, 10). For static buckling analysis using MD simulations, the displacement rate have to be small enough say 0.005 angstrom/ps respectively, since these parameters influence the critical strain/load significantly as will be shown herein.
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