Continuum and atomic-scale modeling of self-positioning microstructures and nanostructures

This article presents investigations of self-positioning microstructures and nanostructures by analytical techniques, finite element analysis and atomic-scale modeling. Closed-form solutions for curvature radius of self-positioning hinge structures are obtained for plane strain and generalized plane strain deformation. The finite element method is used for predicting hinge curvature radius for self-positioning structures of variable width. Anisotropic finite element analysis of self-positioning structures with different orientation of material axes is performed to estimate the effect of material anisotropy on the self-positioning. An algorithm of the atomic-scale finite element method (AFEM) based on the Tersoff interatomic potential has been developed. The AFEM is applied to modeling of GaAs and InAs bi-layer self-positioning nanostructures. Nanohinge curvature radius dependence on the structure thickness and the material orientation angle is investigated. It was found that atomic-scale effects play considerable role for nanostructures of small thickness less than 40 nm.