Nanotube assemblies for structural applications: modeling the key behaviors and emergent nanostructures
Abstract
Carbon nanotubes and their assemblies are of particular interest as low density material. Indeed, while strength of individual nanotubes is recognized, the weak linking across assemblies hampers long-promised utility. Although improvements in experiments are impressive, the progress must beaccelerated by parallel advance in the predictive modeling of the structures and key mechanismsbehind their strength and failure. The objective of this project is to address exactly this:developing large-scale and multiscale (coarse-grained to atomistic to quantum chemistry)theoretical and computational models. While the primary focus planned is on the alignedcovalently crosslinked nanotubes arrays, essentially the nanotube fibers, it will encompass adiverse number of emergent carbon and boron-nitrogen structures. Elements and key defects incarbon fibers, boron-nitrogen nanotubes, graphene-ribbons arrays, graphene helicoids withsensing functionality, carbynes—monoatomic chains of carbon recently obtained in volume,glassy carbons, and tensegrity structures, will be explored systematically, with an eye on newcurrently unanticipated carbon nano-units which empirical experimenting is bound to offer.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 28, 2017
- Source ID
- FA95501710262
Entities
People
- Boris I Yakobson
Organizations
- Air Force Office of Scientific Research
- Rice University
- United States Air Force