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Analysis of coupled atomistic/continuum models for solids

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If you have a question about this talk, please contact Ms Helen Gardner.

Low energy equilibria of crystalline materials are typically characterised by localized defects that interact with their environment through long-range elastic fields. By coupling atomistic models of the defects with continuum models of the elastic fields one can, in principle, obtain models with near-atomistic accuracy with significantly reduced computational complexity. However, several pitfalls need to be overcome to find a reliable coupling mechanism. In this talk I will present some of the main ideas for coupling atomistic and continuum models for solids at the microscale: (i) energy-based coupling; (ii) force-based coupling; and (iii) direct coarse-graining without coupling. The focus will be on a rigorous analysis of the coupling mechanisms, such as the derivation of rigorous error estimates, and sharp stability analyses. I will concentrate primarily on the force-based approach which appears the most promising route at present.

This talk is part of the Engineering - Mechanics and Materials Seminar Series series.

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