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:
 
 

Reliability of Atomistic-Continuum Modeling Simulations for Problems in Molecular Statics

S. Prudhomme, JP. Bauman and .T. Oden
The University of Texas at Austin, US

Keywords:
error estimation, adaptivity, nanoindentation

Abstract:
Multi-scale computational modeling aims at developing systematic techniques for bridging scales between atomistic models and continuum models in order to increase the speed of dynamical calculations. Continuum level models can simulate large volumes of material, at the expense of accuracy. Conversely, nanoscale models can accurately capture small-scale features, but are computationally too slow to simulate large (useful) volumes of material. The goal of multi-scale modeling is to take advantage of the fact that in many systems, only a small percentage of the total region is of interest. However, the main challenge in implementing multi-scale approaches lies in determining which regions are simulated with a continuum model or a nanoscale model, and to adequately model the transition region. Here, we apply the Goal-Oriented Adaptive Modeling method to problems in molecular statics. This method has been recently developed to control modeling errors in computational simulations with the purpose of providing accurate solutions with respect to user-defined quantities of interest and has been successfully employed in a variety of problems in mechanics. Goal Oriented Adaptive Modeling is a general framework based on an error estimation module that estimates the error between two different models, and an adaptive algorithm module that automatically selects the models to be used in the various regions of the computational domain. The method involves solving a dual problem whose solution indicates how the sources of errors influence the error in the targeted quantity of interest. We show here how the algorithm can be applied to a nanoindentation problem using the quasicontinuum method.

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