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| − | Title:
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| − | Consistency of atomistic/continuum coupling methods for crystalline solids
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| − | Abstract:
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| − | 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 for the elastic far field one can, in principle, obtain models with near-atomistic accuracy at significantly reduced computational cost. However, several pitfalls need to be overcome to find a reliable coupling mechanism. Possibly the most widely discussed among these pitfalls are the so-called “ghost forces” that typically arise in energy-based atomistic/continuum coupling mechanisms.
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| − | In this talk I will first describe the construction and of energy-based atomistic/continuum coupling methods, how ghost forces arise, and how one can avoid them. I will then explain the resulting model errors due to different types of interface treatment. I will try to answer the question whether absence of ghost forces automatically implies "high accuracy" of the coupling scheme.
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