MODELING AND SIMULATIONS OF CARBON NANOTUBES FOR DEVICE APPLICATIONS

摘要

Carbon nanotubes have attracted great interest because of their excellent mechanical, electrical and chemical properties. They are candidates for many potential applications. Here, we present some of our modeling and simulation efforts on nanotubes for various device applications. These vary from adhesives to nanoelectronic devices, electron field emission devices and nanosensors. Using different modeling and simulation techniques such as molecular dynamics, ab initio electronic structure calculations and finite element calculations, theoretical investigations on physical properties of nanotubes are performed and potential applications are evaluated.