Determination of carbon nanotubes size-dependent parameters: molecular dynamics simulation and nonlocal strain gradient continuum shell model

Abstract

Knowing the size-dependent parameters is essential in continuum modeling of micro/nanostructures. In this paper, nonlocal and material length scale parameters are calibrated by comparing the natural frequencies obtained from MD simulation and nonlocal strain gradient theory. Elastic modulus of each CNT is also calculated by MD and used in the shell model. The effects of size-dependent parameters on the natural frequency and their dependency on geometry and chirality of CNTs are also investigated. It is found that in the calibration of continuum results with MD outputs, the nonlocal parameter has the dominant effect in comparison with material length scale parameter..

Keywords:

• Calibration
• carbon nanotubes
• mechanical properties
• molecular dynamics simulation
• nonlocal strain gradient theory