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International Journal for Multiscale Computational Engineering

ISSN for PRINT: 1543-1649

Institutional price:	$747.00
Issues per year:	6

Best Paper Award Selection - Editorial Board Site

2007, Volume5

83 pages

DOI: 10.1615/IntJMultCompEng.v5.i5

Issue price - $138.00

A Force-Based Blending Model forAtomistic-to-Continuum Coupling

S. Badia
Sandia National Laboratories, Computational Mathematics and Algorithms, P.O. Box 5800, MS 1320, Albuquerque, NM 87185, USA

P. Bochev
Sandia National Laboratories, Computational Mathematics and Algorithms, P.O. Box 5800, MS 1320, Albuquerque, NM 87185, USA

R. Lehoucq
Sandia National Laboratories, Computational Mathematics and Algorithms, P.O. Box 5800, MS 1320, Albuquerque, NM 87185, USA

M. L. Parks
Sandia National Laboratories, Computational Mathematics and Algorithms, P.O. Box 5800, MS 1320, Albuquerque, NM 87185, USA

Jacob Fish
Multiscale Science and Engineering Center, Rensselaer Polytechnic Institute, Troy, NY 12189, USA

Mohan A. Nuggehally
Scientific Computation Research Center, Rensselaer Polytechnic Institute, 110 8th St., Troy, NY 12180, USA

M. Gunzburger
School of Computational Science, Florida State University, Tallahassee, FL 32306-4120, USA

ABSTRACT

A method for coupling atomistic and continuum models across a subdomain, or bridge region, is presented. Coupling is effected through a force-based blending model. The method properly accounts for the the atomistic and continuum contributions to the force balance at points in the bridge region. Simple patch tests and computational experiments are used to study the method and its properties in one dimension. A discussion of implementation issues in higher dimensions is provided.