Multiscale Modeling with Extended Bridging Domain Method∗

This Chapter describes the concurrent coupling of atomistic methods with continuum mechanics. Such models are useful in the study of phenomena such as fracture and dislocation dynamics, where molecular mechanics and/or quantum mechanics models are required for phenomena such as bond breaking, but the relevant configuration is far too large to permit a completely atomic description. To make such problems computationally tractable, the quantum/atomistic model must be limited to small clusters of atoms in the vicinity of a domain of interest where such high resolution models are necessary and a continuum method should be used for the rest of the domain, see e.g. Khare et al. [1, 2]. In the remainder of the domain, where no bond breaking occurs, the continuum description permits much less expensive computations with sufficient accuracy to describe the behavior of the system. This chapter describes two types of concurrent models