Bridging Methods for Coupling Atomistic and Continuum Models

  • Authors:

  • Santiago Badia;Pavel Bochev;Max Gunzburger;Richard Lehoucq;Michael Parks

  • Affiliations:

  • Sandia National Laboratories, Computational Mathematics and Algorithms, Albuquerque, USA NM 87185 and CIMNE, Universitat Politècnica de Catalunya, Barcelona, Spain 08034;Sandia National Laboratories, Computational Mathematics and Algorithms, Albuquerque, USA NM 87185;School of Computational Science, Florida State University, Tallahassee, USA FL 32306-4120;Sandia National Laboratories, Computational Mathematics and Algorithms, Albuquerque, USA NM 87185;Sandia National Laboratories, Computational Mathematics and Algorithms, Albuquerque, USA NM 87185

  • Venue:
  • Large-Scale Scientific Computing
  • Year:
  • 2009

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Abstract

We review some recent developments in the coupling of atomistic and continuum models based on the blending of the two models in a bridge region connecting the other two regions in which the models are separately applied. We define four such models and subject them to patch and consistency tests. We also discuss important implementation issues such as: the enforcement of displacement continuity constraints in the bridge region; and how one defines, in two and three dimensions, the blending function that is a basic ingredient in the methods.