Abstract
This chapter defines the requirements of a TCAD-based environment in which the basic concepts behind nanotechnology can be investigated. This involves developing physical models of nanoscale objects and conducting large-scale simulations to test the validity of these models under realistic physical and chemical conditions. The nanoscale objects then can be investigated for structural, mechanical, electronic, and transport behavior, and their integration into larger systems can be studied. The design and simulation of realistic nanotechnology systems presents formidable computational challenges. Future nanotechnology systems simulation may need to be performed for 100 million atoms. The most accurate methods available may remain limited in scope to smaller molecular systems. The application simulations have been divided into four categories: mechanical andmaterials properties of nanotubes; nanotube heterojunctions as molecular electronic device components; nanoscale electromechanical systems and a laser-driven molecular motor; and nanotube-based nanolithography on silicon surfaces. The applications of nanostructured materials and device components are just starting to be conceived and simulated.
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