Overview Statistic: PDF-Downloads (blue) and Frontdoor-Views (gray)

Challenges in Atomistic-to-Continuum Coupling

  • This paper is concerned with the design, analysis, and implementation of concurrent coupling approaches where different (atomic and continuous) models are used simultaneously within a single simulation process. Thereby, several problems or pitfalls can happen, for example, the reflection of molecular movements at the “boundary” between the atomic and continuum regions which leads to an unphysical increase in energy in the atomic model. We investigate the problems with the aim of giving an introduction into this field and preventing errors for scientists starting their research towards multiscale methods.
Metadaten
Author:Konstantin FackeldeyORCiD
Document Type:ZIB-Report
Parent Title (English):ZIB Report
Volume:2010
Year of first publication:2010
Preprint:Preprint
DOI:https://doi.org/10.1155/2015/834517
Accept ✔
Diese Webseite verwendet technisch erforderliche Session-Cookies. Durch die weitere Nutzung der Webseite stimmen Sie diesem zu. Unsere Datenschutzerklärung finden Sie hier.