0000000000287222
AUTHOR
Mary C. Boyce
Nonlinear Structural Mechanics Based Modeling of Carbon Nanotube Deformation
A nonlinear structural mechanics based approach for modeling the structure and the deformation of single-wall and multiwall carbon nanotubes (CNTs) is presented. Individual tubes are modeled using shell finite elements, where a specific pairing of elastic properties and mechanical thickness of the tube wall is identified to enable successful modeling with shell theory. The effects of van der Waals forces are simulated with special interaction elements. This new CNT modeling approach is verified by comparison with molecular dynamics simulations and high-resolution micrographs available in the literature. The mechanics of wrinkling of multiwall CNTs are studied, demonstrating the role of the …
Mixed finite element-tight-binding electromechanical analysis of carbon nanotubes
Electrical transport properties of carbon nanotubes can be dramatically changed by mechanical deformations that alter tube shape and the corresponding positions of the atoms comprising the tube wall. In principle, detailed atomic/electronic calculations can provide both the deformed configuration and the resulting electrical transport behavior of the tube. Here we simplify the process by refining a previously-developed nonlinear structural mechanics finite-element-based procedure for modeling mechanical behavior of carbon nanotubes to account explicitly for tube chirality. A quadrilateral element overlay procedure provides an isotropic finite element model of hexagonal cells within a graphe…
An Equivalent Orthotropic Representation of the Nonlinear Elastic Behavior of Multiwalled Carbon Nanotubes
An equivalent orthotropic representation (EOR) of the nonlinear elastic behavior of multiwalled carbon nanotubes (MWCNTs) was developed based on a nested shell structural representation of MWCNTs. The EOR model was used together with the finite element method to simulate the large deformation of MWCNTs under bending, axial compression and radial compression. Results were compared with those of the nested shell model for four-, eight-, nine-, 14-, and 19-walled carbon nanotubes. The EOR model provides a dramatic improvement in computational efficiency and successfully quantitatively replicates the overall deformation behavior including the initial linear elastic behavior, the onset of local …
Mechanics of deformation of single- and multi-wall carbon nanotubes
Abstract An effective continuum/finite element (FE) approach for modeling the structure and the deformation of single- and multi-wall carbon nanotubes (CNTs) is presented. Individual tubes are modeled using shell elements, where a specific pairing of elastic properties and mechanical thickness of the tube wall is identified to enable successful modeling with shell theory. The incorporation and role of an initial internal distributed stress through the thickness of the wall, due to the cylindrical nature of the tube, are discussed. The effects of van der Waals forces, crucial in multi-wall nanotubes and in tube/tube or tube/substrate interactions, are simulated by the construction of special…