Effect of thickness of the intergranular film on fracture in Si 3N4

Shenghong Zhang, Steve Garofalini

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Molecular dynamics computer simulations were used to study the fracture behavior of silica intergranular films (IGFs) between silicon nitride crystals as a function of film thickness. Results showed a significant increase in fracture stress with decreasing IGF thickness. IGFs that are 2 nm thick fracture similarly to bulk silica glass, while the 1 nm IGF fractured at a much higher value. The simulations show bond rupture and rearrangement of siloxane rings that coalescence to form larger rings, or "voids." The delineating difference in the systems is the significantly larger concentration of six-membered rings in the 1 nm IGF in comparison to the 2 nm IGF or bulk silica glass. The Si-O bond is more stable in six-membered rings than other ring sizes. Rupture is more catastrophic in the 1 nm IGF than the other systems where stress decays more slowly with strain.

Original languageEnglish
Pages (from-to)147-151
Number of pages5
JournalJournal of the American Ceramic Society
Volume92
Issue number1
DOIs
Publication statusPublished - Jan 2009

Fingerprint

Fused silica
Film thickness
Siloxanes
Coalescence
Silicon nitride
Silicon Dioxide
Molecular dynamics
Silica
Crystals
Computer simulation
silicon nitride

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

Cite this

Effect of thickness of the intergranular film on fracture in Si 3N4 . / Zhang, Shenghong; Garofalini, Steve.

In: Journal of the American Ceramic Society, Vol. 92, No. 1, 01.2009, p. 147-151.

Research output: Contribution to journalArticle

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