An efficient size-dependent shear deformable shell model and molecular dynamics simulation for axial instability analysis of silicon nanoshells

S Sahmani and MM Aghdam and M Bahrami, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 77, 263-279 (2017).

DOI: 10.1016/j.jmgm.2017.08.015

Understanding the size-dependent behavior of structures at nanoscale is essential in order to have an effective design of nanosystems. In the current investigation, the surface elasticity theory is extended to study the nonlinear buckling and postbuckling response of axially loaded silicon cylindrical naoshells. Thereby, an efficient size-dependent shear deformable shell model is developed including the size effect of surface free energy. A boundary layer theory of shell buckling in conjunction with a perturbation-based solution methodology is employed to predict the size dependency in the buckling loads and postbuckling behavior of silicon nanoshells having various thicknesses. After that, on the basis of the Tersoff empirical potential, a molecular dynamics (MD) simulation is performed for a silicon cylindrical nanoshell with thickness of four times of silicon lattice constant, the critical buckling load and critical shortening of which are extracted and compared with those of the developed non-classical shell model. It is demonstrated that by taking the effects of surface free energy into account, a very good agreement is achieved between the results of the developed size-dependent continuum shell model and those of MD simulation. (C) 2017 Elsevier Inc. All rights reserved.

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