Calibration of nonlocal strain gradient shell model for buckling analysis of nanotubes using molecular dynamics simulations

The present paper is concerned with the applicability of nonlocal strain gradient theory for axial buckling analysis of nanotubes. The first order shear deformation theory with the von Kármán geometrical nonlinearity is utilized to establish theoretical formulations. The governing equations and boundary conditions are derived using the minimum potential energy principle. As main purpose of this study, the small length scale parameters are calibrated for the axial buckling problem of carbon nanotubes (CNTs) using molecular dynamics (MDs) simulations. Further the influences of different geometrical and material parameters, such as length and thickness ratio as well as small length scale parameters on the buckling response of nanotubes are studied. It is indicated that the effect of small length scale parameters on the critical buckling load becomes more prominent by increasing thickness and decreasing length ratio. Moreover, the calibrated small length scale parameters presented herein would be useful for the purpose of applying the nonlocal strain gradient theory for the analysis of nanotubes. The calibrated nonlocal strain gradient theory presented herein should be useful for researchers who are using the nonlocal strain gradient shell theories for analysis of micro/nanotubes.