AVS 49th International Symposium
    Nanotubes: Science and Applications Topical Conference Tuesday Sessions
       Session NT-TuA

Invited Paper NT-TuA1
Mechanics and Electrostatics of Nanotubes

Tuesday, November 5, 2002, 2:00 pm, Room C-209

Session: Nanotubes: Mechanical Properties, NEMS
Presenter: D.W. Brenner, North Carolina State University
Authors: D.W. Brenner, North Carolina State University
D. Areshkin, North Carolina State University
J.D. Schall, North Carolina State University
O.A. Shenderova, North Carolina State University
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This talk will focus on modeling studies that have the aim of optimizing nanotube functionality in a number of applications, including nanocomposites and nanoelectromechanical (NEM) devices. The primary computational tools are a many-body bond-order potential energy function and a self-consistent hybrid density functional/tight binding scheme. The former is used for modeling structural and mechanical properties, including elastic properties of functionalized nanotubes. The latter method, which allows applied fields to be incorporated into a tight-binding Hamiltonian, is used to evaluate nanotube electrostatics and nonequilibrium electron transport. Topics to be discussed include the contribution of electrostatic interactions and nanotube polarizability to mechanical load transfer in nanotube-polymer composites, and alignment, kink formation and non-equilibrium transport in NEM devices. @FootnoteText@ @footnote 1@ Funded by the Office of Naval Research and by NASA.