Journal of Materials Science

, Volume 42, Issue 12, pp 4159–4169 | Cite as

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

  • Krishna MuralidharanEmail author
  • Ki-Dong Oh
  • P. A. Deymier
  • K. Runge
  • J. H. Simmons


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.


Molecular Dynamic Simulation Brittle Fracture Silicon Atom Silica Glass Critical Void 



This work was supported by the U.S. National Science Foundation under ITR award DMR-0325553.


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Copyright information

© Springer Science+Business Media, LLC 2007

Authors and Affiliations

  • Krishna Muralidharan
    • 1
    • 2
    Email author
  • Ki-Dong Oh
    • 1
  • P. A. Deymier
    • 1
  • K. Runge
    • 2
  • J. H. Simmons
    • 1
  1. 1.Department of Materials Science and EngineeringUniversity of ArizonaTucsonUSA
  2. 2.Quantum Theory ProjectUniversity of FloridaGainesvilleUSA

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