Nano Science and Technology InstituteNano Science and Technology Institute
Nano Science and Technology Institute 2004 NSTI Nanotechnology Conference & Trade Show
Nanotech 2004
BioNano 2004
Program
Topics & Tracks
Sunday
Monday
Tuesday
Wednesday
Thursday
Index of Authors
Keynotes
Awards
Tutorials
Business & Investment
2004 Sub Sections
Sponsors
Exhibitors
Venue 2004
Proceedings
Organization
Press Room
Purchase CD/Proceedings
NSTI Events
Subscribe
Site Map
Nanotech Proceedings
Nanotechnology Proceedings
Supporting Organizations
Nanotech Supporting Organizations
Media Sponsors
Nanotech Media Sponsors
Event Contact
696 San Ramon Valley Blvd., Ste. 423
Danville, CA 94526
Ph: (925) 353-5004
Fx: (925) 886-8461
E-mail:
 
 

Ab Initio Simulation on Mechanical and Electronic Properties of Nanostructures under Deformation

Y. Umeno and T. Kitamura
Kyoto University, JP

Keywords: ab initio, deformation, mechanical property, electronic structure, silicon, nickel, carbon nanotube

Abstract:
Nanostructures have been attracting attention because of their prominent properties, and their applications for novel devices with advanced functions have been attemted. Large stress and strain occur in local regions in materials with nanostructures owing to their complex structures. In this study, we conduct ab initio simulations to elucidate the mechanical and electronic properties of materials, which are essential for designing functional nanomaterials. Firstly, we investigate in detail the deformation of crystals, such as silicon and nickel, and the change in their electronic structures under deformation. We nd that the strain largely changes the electronic structures of the crystals, resulting in the changes in the electric conductivity of silicon and the magnetic property of nickel. Secondly, we conduct simulations on the deformation of carbon nanotubes, which are among greatly notable nanomaterials. We nd that the electric conductivity of the carbon nanotubes shows transitions from metallic to semiconducting and vice versa under axial tension. We also nd that the semiconducting nanotubes become metallic under radial compression, while the metallic nanotubes do not show the transition.

Nanotech 2004 Conference Technical Program Abstract

 
Sponsors
Nanotech Sponsors
News Headlines
NSTI Online Community
 
 

© Nano Science and Technology Institute, all rights reserved.
Terms of use | Privacy policy | Contact