On Atomistic-to-Continuum Coupling by Blending

  title={On Atomistic-to-Continuum Coupling by Blending},
  author={Santiago Badia and Michael L. Parks and Pavel B. Bochev and Max Gunzburger and Richard B. Lehoucq},
  journal={Multiscale Modeling & Simulation},
A mathematical framework for the coupling of atomistic and continuum models by blending them over a subdomain subject to a constraint is developed. Using the framework, four classes of atomistic-to-continuum (AtC) blending methods are established, their consistency is studied, and their relative merits are discussed. In addition, the framework helps clarify the origin of ghost forces and formalizes the notion of a patch test. Numerical experiments with the AtC methods are used to illustrate the… CONTINUE READING


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