Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics

Kenji Tsuruta, Andrey Omeltchenko, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

Research output: Contribution to journalConference article

Abstract

Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si3N4. We find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si3N4 as a function of grain size and porosity are well described by a multiphase model for heterogeneous materials. The study of fracture in the nanophase Si3N4 reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si3N4. This is due to branching and pinning of the crack front by nanoscale microstructures.

Original languageEnglish
Pages (from-to)205-210
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
Volume457
Publication statusPublished - Jan 1 1997
Externally publishedYes
EventProceedings of the 1996 MRS Fall Symposium - Boston, MA, USA
Duration: Dec 2 1996Dec 5 1996

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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