On atomistic-to-continuum coupling by blending

Santiago Badia; Michael Parks; Pavel Bochev; Max Gunzburger; Qrichard Lehouc

doi:10.1137/07069969X

On atomistic-to-continuum coupling by blending

Santiago Badia, Michael Parks, Pavel Bochev, Max Gunzburger, Qrichard Lehouc

Research output: Contribution to journal › Article › peer-review

77 Scopus citations

Abstract

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 theoretical results.

Original language	English
Pages (from-to)	381-406
Number of pages	26
Journal	Multiscale Modeling and Simulation
Volume	7
Issue number	1
DOIs	https://doi.org/10.1137/07069969X
State	Published - 2008
Externally published	Yes

Keywords

Atomistic
Blending methods
Continuum coupling
Coupling methods
Multiscale simulation
to

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10.1137/07069969X

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On atomistic-to-continuum coupling by blending

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