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Computational nanotechnology with carbon nanotubes and fullerenes

Srivastava, D.   Menon, M.   Kyeongjae Cho  
NASA Ames Res. Center, Moffett Field, CA;

This paper appears in: Computing in Science & Engineering
Publication Date: Jul/Aug 2001
Volume: 3,  Issue: 4
On page(s): 42-55
ISSN: 1521-9615
References Cited: 48
CODEN: CSENFA
INSPEC Accession Number: 6980372
Digital Object Identifier: 10.1109/5992.931903
Posted online: 2002-08-07 00:25:43.0

Abstract
The authors envision computational nanotechnology's role in developing the next generation of multifunctional materials and molecular-scale electronic and computing devices, sensors, actuators, and machines. They briefly review computational techniques and provide a few recent examples derived from computer simulations of carbon nanotube-based molecular nanotechnology. The four core areas are: molecular-scale, ultralightweight, extremely strong, functional or smart materials; molecular-scale or nanoscale electronics with possibilities for quantum computing; molecular-scale sensors or actuators; and molecular machines or motors with synthetic materials. The underlying molecular-scale building blocks in all four areas are fullerenes and carbon nanotube-based molecular materials. Only the different aspects of their physical, chemical, mechanical, and electronic properties create the many applications possible with these materials in vastly different areas

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