Implementation of consistent embedding for a larger system-Amorphous silica

Krishna Muralidharan, Aditi Mallik, Keith Runge, P. A. Deymier

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


We examine the performance and behavior of the consistent embedding multi-scale simulation techniques described in the preceding article. The test is bulk amorphous silica, primarily in the small-strain regime. We also examine some practical issues that arise when the technique is used to model mechanical failure. For context, we present results of classical molecular dynamics simulations of fracture mechanisms of amorphous silica.

Original languageEnglish (US)
Pages (from-to)61-73
Number of pages13
JournalJournal of Computer-Aided Materials Design
Issue number1-3
StatePublished - Oct 2006

ASJC Scopus subject areas

  • General Materials Science
  • Computer Science Applications
  • Computational Theory and Mathematics


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