e-Science logo Nesc logo
 
 
About NeSC
e-Science Institute
e-Science Hub
TOE
Contacts
e-Science Events
Resources
Newsroom
Presentations & Lectures
Technical Papers
Global Grid Links
Projects
UK e-Science Centres
UK e-Science Teams
Career Opportunities
Bibliographic Database
 

 

Paper ID: 1316

Real-time Visualization and Computational Steering of Molecular Dynamics simulations of Materials Science
Steven D,Kenny Stephen M,Pickles Andrew R,Porter Carlos F,Sanz-Navarro

Appeared in: Proceedings of the UK e-Science All Hands Conference 2004 website: http://www.allhands.org.uk/2004/
Page Numbers:978 - 982
Publisher: Engineering and Physical Sciences Research Council
Year: 2004
ISBN/ISSN: 1-904425-21-6
Contributing Organisation(s):
Field of Science: e-Science

URL: http://www.allhands.org.uk/2004/proceedings/papers/107.pdf

Abstract: We will describe the implementation and use of real-time visualization and computational steering techniques in molecular dynamics (MD) simulations. More specifically we will discuss the way in which we have incorporated the RealityGrid steerer into Loughborough's MD code and the science that this has enabled. We will also describe a real-time visualization tool based on VTK that has been developed at Loughborough. These will be discussed in the context of the modelling of three different processes; the simulation of nanoindentation experiments, the modelling of nanofriction and the modelling of collision cascades due to radiation damage.

Keywords: e-Science, AHM 2004


BIB DOC HTM HTML PDF PPT PS RTF TEX TXT ZIP




 

Last Updated: 22 Jun 12 11:02
This is an archived website, preserved and hosted by the School of Physics and Astronomy at the University of Edinburgh. The School of Physics and Astronomy takes no responsibility for the content, accuracy or freshness of this website. Please email webmaster [at] ph [dot] ed [dot] ac [dot] uk for enquiries about this archive.