Title: Modelling and analysis of nanodevices using a molecular dynamics simulator

Authors: Boppana V. Chowdary, Steven Manmohan

Addresses: Department of Mechanical and Manufacturing Engineering, The University of the West Indies, St. Augustine, West Indies, Trinidad and Tobago. ' Department of Mechanical and Manufacturing Engineering, The University of the West Indies, St. Augustine, West Indies, Trinidad and Tobago

Abstract: This research aims to investigate the overall effect of changes in the atomic composition of rotational nanodevices, with respect to carbon, silicon, germanium, sulphur and selenium elements. Some nanodevices designed by Erick Drexler were considered for modelling and simulation using Nanoengineer-1 which is the first molecular 3D CAD software programme developed exclusively for simulation of nanosystems. Comparisons were made between the selected nanodevices with respect to their stability and transferred torque. The simulation results proved that the chemical elements carbon, silicon or germanium affected the stability of the selected nanodevices significantly. In addition to this, it was found that the torque transmitted was also dependent on the type of elements and the number of atoms used. Furthermore, it was found that for modelling and simulation of nanodevices using Nanoengineer-1 software, a personal computer will be adequate.

Keywords: Nanoengineer-1; rotational nanodevices; molecular dynamics; simulation; nanomechanical stability; atomic composition; molecular 3D CAD; nanotechnology; carbon; silicon; germanium; sulphur; selenium.

DOI: 10.1504/IJMATEI.2011.037880

International Journal of Materials Engineering Innovation, 2011 Vol.2 No.1, pp.49 - 70

Published online: 01 Jan 2011 *

Full-text access for editors Access for subscribers Purchase this article Comment on this article