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Construction and analysis of consistent energy based atomistic/continuum coupling method

Lei Zhang (Shanghai Jiao Tong Univeristy), Christoph Ortner (University of Warwick)

From Atomistics to Reality: Spanning Scales in Simulations and Experiments Symposium B

Wed 3:10 - 4:30

CIT 165

We present a new geometry reconstruction approach for the formulation of energy based atomistic/continuum coupling methods (a/c methods). For general multi-body interactions on the 2D triangular lattice, we show that ghost force removal (patch test consistent) a/c methods can be constructed for arbitrary interface geometries. Moreover, we prove that all methods within this class are first-order consistent at the atomistic/continuum interface and second-order consistent in the interior of the continuum region. The convergence and stability of the method is analyzed and justified with numerical experiments.