English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC)coupling method for problems with point defects. Near the defect core themethod employs a potential-based atomistic model, which enables accuratesimulation of the defect. Away from the core, where site energies become nearlyindependent of the lattice position, the method switches to a more efficientcontinuum model. The two models are merged by minimizing the mismatch of theirstates on an overlap region, subject to the atomistic and continuum forcebalance equations acting independently in their domains. We prove that theoptimization problem is well-posed and establish error estimates.

Analysis of an optimization-based atomistic-to-continuum coupling method for point defects