Nano Science and Technology InstituteNano Science and Technology Institute
Nano Science and Technology Institute 2005 NSTI Nanotechnology Conference & Trade Show
Nanotech 2005
Bio Nano 2005
Business & Investment
Nano Impact Workshop
Program
Sessions
Sunday
Monday
Tuesday
Wednesday
Thursday
Index of Authors
Index of Keywords
Keynote Presentations
Confirmed Speakers
Participating Companies
Industry Focus Sessions
Nanotech Expo
Special Symposia
Conferences
Sponsors
Exhibitors
Venue 2005
Organization
Press Room
Subscribe
Site Map
 
Nanotech 2005 At A Glance
Nanotech Proceedings
Nanotechnology Proceedings
Global Partner
nano tech
Supporting Organizations
Nanotech 2005 Supporting Organization
Media Sponsors
Nanotech 2005 Medias Sponsors
Event Contact
696 San Ramon Valley Blvd., Ste. 423
Danville, CA 94526
Ph: (925) 353-5004
Fx: (925) 886-8461
E-mail:
 
 

Calculating Deflection of Micro-Cantilever with Self-Assembled Monolayer Molecules Using Molecular Dynamics Simulations

H-C Kan, Y-T Wang and S-H Tsai
National Center for High-performance Computing, TW

Keywords:
molecular dynamics simulations, CHARMM, self-assembled monolayer, SAM, Stoney equation, Dupré relation

Abstract:
Self-assembled Monolayers (SAM) by spontaneous adsorption of molecules on microscale substrates have attracted a huge interest due to their scientific importance and potential uses in technological applications and health care industry. Diverse selections of SAM in accompanying with various bio-molecules to form biological probes on the substrate surface have made the micro-cantilever an excellent device for studies of interactions between artificial surfaces and biological systems. By evaluating the change of Gibbs free energy of the adsorbed molecules, the deflection of the probe can be calculated, mechanically and thermodynamically, by the Stoney’s equation in associated with the Dupré relation. All computations of the free energy changes were performed isothermally with periodic boundary conditions (PBC) by commercial molecular dynamics (MD) simulation software CHARMM in associated with the specific molecular topology and force fields for alkanethiolic molecules (HS)(CH2)7CH3. The alkanethiolic molecules are arranged respectively in squared 4_4 and 8_8 array formats adsorbed on the Au atoms coated on the surface of the micro-cantilever. The effects of the seeding density of the adsorbed molecules are taken into consideration by different separations between Au atoms.

Back to Program

Sessions Sunday Monday Tuesday Wednesday Thursday Authors

Nanotech 2005 Conference Program Abstract

 
Gold Sponsors
Nanotech Gold Sponsors
Silver Sponsors
Nanotech Silver Sponsors
Gold Key Sponsors
Nanotech Gold Key Sponsors
Nanotech Ventures Sponsors
Nanotech Ventures Sponsors
Sponsors
Nanotech Sponsors
News Headlines
NSTI Online Community
 
 

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