Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica

Krishna Muralidharan, Ki Dong Oh, P. A. Deymier, K. Runge, J. H. Simmons

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

We have examined the atomic dynamics of the brittle fracture process in amorphous silica using molecular dynamics. Under strain, extensive atomic restructuring occur in the vicinity of voids leading to the formation of 2-membered (2-M) silica rings that are much different than the open network structure of the bulk. The sequence of events that lead to the formation of the 2-M rings was characterized by examining the change in local coordination of atoms.

Original languageEnglish (US)
Pages (from-to)4159-4169
Number of pages11
JournalJournal of Materials Science
Volume42
Issue number12
DOIs
StatePublished - Jun 1 2007

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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