Hostname: page-component-745bb68f8f-f46jp Total loading time: 0 Render date: 2025-01-27T02:50:44.143Z Has data issue: false hasContentIssue false
  • English
  • Français

Uniform Accuracy of the Quasicontinuum Method

Published online by Cambridge University Press:  26 February 2011

Jerry Yang ,
Jianfeng Lu  and
E. Weinan
Jerry Yang
Affiliation:
Princeton University
Jianfeng Lu
Affiliation:
Princeton University
E. Weinan
Affiliation:
Princeton University
Get access

Abstract

Format

This is a copy of the slides presented at the meeting but not formally written up for the volume.

Abstract

The accuracy of the quasicontinuum method is studied by reformulating the summation rules in terms of reconstruction schemes for the local atomic environment of the representative atoms. The necessary and sufficient condition for uniform first order accuracy and consequently the elimination of the “ghost force” is formulated in terms of the reconstruction schemes. The quasi-nonlocal approach is discussed as a special case of this condition. Examples of reconstruction schemes that satisfy this condition are presented. Transition between atom-based and element-based summation rules are studied.

Keywords

microstructurecrystallinesimulation
Type
Slide Presentations
Information
MRS Online Proceedings Library (OPL) , Volume 978: Symposium GG – Solution Processing of Inorganic and Hybrid Materials for Electronics and Photonics , 2006 , 978-GG01-02
Copyright
Copyright © Materials Research Society 2006

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)